Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 known ✓ | Q16539 | 18/20 | 0.55 |
| ▸ | MAPK11 | Q15759 | 3/20 | 0.55 |
| ▸ | SMO | Q99835 | 15/20 | 0.52 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL245081 | 0.99 | MAPK14 (0.56) | MAPK14MAPK11SMO | |
| Bromide SCHEMBL242629 | 0.98 | MAPK14 (0.55) | MAPK14MAPK11SMO | |
| SCHEMBL244089 | 0.96 | MAPK14 (0.53) | MAPK14MAPK11SMO | |
| SCHEMBL243394 | 0.91 | MAPK14 (0.58) | MAPK14MAPK11SMO | |
| SCHEMBL243913 | 0.90 | MAPK14 (0.56) | MAPK14MAPK11SMO | |
| SCHEMBL244319 | 0.89 | MAPK14 (0.57) | MAPK14MAPK11SMO | |
| SCHEMBL241056 | 0.88 | MAPK14 (0.56) | MAPK14MAPK11SMO | |
| Hydrochloric Acid SCHEMBL241989 | 0.87 | MAPK14 (0.68) | MAPK14SMO | |
| SCHEMBL243675 | 0.87 | BRD4 (0.58) | MAPK14MAPK11 | |
| SCHEMBL242583 | 0.86 | MAPK14 (0.69) | MAPK14SMO |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170135996-A1 | PHARMACEUTICAL DEPOT FOR N-{5-[(CYCLOPROPYLAMINO)CARBONYL]-2-METHYLPHENYL)-3-FLUORO-4-(PYRIDIN-2-YLMETHOXY)BENZAMIDE | ASTRAZENECA AB (SE) | 2017-05-18 | — | — | US | disclosed |
| US-20160030400-A1 | PHARMACEUTICAL DEPOT FOR N-{5-[(CYCLOPROPYLAMINO)CARBONYL]-2-METHYLPHENYL)-3-FLUORO-4-(PYRIDIN-2-YLMETHOXY)BENZAMIDE | ASTRAZENECA AB (SE) | 2016-02-04 | — | — | US | disclosed |
| US-8742124-B2 | Amide derivatives bearing a cyclopropylaminoacarbonyl substituent useful as cytokine inhibitors | ASTRAZENECA AB (SE) | 2014-06-03 | — | — | US | disclosed |
| US-20130035346-A1 | AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS | ASTRAZENECA AB (SE) | 2013-02-07 | — | — | US | disclosed |
| US-20120149739-A1 | PHARMACEUTICAL DEPOT FOR N-{5-[(CYCLOPROPYLAMINO)CARBONYL]-2-METHYLPHENYL)-3-FLUORO-4-(PYRIDIN-2-YLMETHOXY)BENZAMIDE | ASTRAZENECA AB (SE) | 2012-06-14 | — | — | US | disclosed |
| US-20120004243-A1 | AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS | ASTRAZENECA AB (SE) | 2012-01-05 | — | — | US | disclosed |
| US-7943776-B2 | Amide derivatives bearing a cyclopropylaminoacarbonyl substituent useful as cytokine inhibitors | ASRAZENECA AB (SE) | 2011-05-17 | — | — | US | disclosed |
| EP-2271318-A1 | PHARMACEUTICAL DEPOT COMPRISING N-{5- T (CYCLOPROPYLAMINO) CARBONYL]-2-METHYLPHENYL}-3-FLU0R0-4- (PYRIDIN-2-YLMETHOX Y) BENZAMIDE | AstraZeneca AB (SE) | 2011-01-12 | — | — | EP | disclosed |
| EP-1699766-B1 | AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS | ASTRAZENECA AB (SE) | 2010-08-11 | — | — | EP | disclosed |
| US-20090281150-A1 | Compound 249 | ASTRAZENECA AB (SE) | 2009-11-12 | — | — | US | disclosed |
| WO-2009125226-A1 | PHARMACEUTICAL DEPOT COMPRISING N-{5- T (CYCLOPROPYLAMINO) CARBONYL] -2-METHYLPHENYL}-3-FLU0R0-4- (PYRIDIN-2-YLMETHOX Y) BENZAMIDE | ASTRAZENECA AB (SE) | 2009-10-15 | — | — | WO | disclosed |
| US-20070135440-A1 | Amide derivatives bearing a cyclopropylaminoacarbonyl substituent useful as cytokine inhibitors | ASTRAZENECA AB (SE) | 2007-06-14 | — | — | US | disclosed |
| EP-1699766-A1 | AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS | AstraZeneca AB (SE) | 2006-09-13 | — | — | EP | disclosed |
| WO-2005061465-A1 | AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTO KINE INHIBITORS | ASTRAZENECA AB (SE) | 2005-07-07 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20070135440-A1 | Amide derivatives bearing a cyclopropylaminoacarbonyl substituent useful as cytokine inhibitors | IL2, IL6, IL1B | MAPK14 1549/4885MAPK11 2179/4885SMO 2872/4885 |
| US-20160030400-A1 | PHARMACEUTICAL DEPOT FOR N-{5-[(CYCLOPROPYLAMINO)CARBONYL]-2-METHYLPHENYL)-3-FLUORO-4-(PYRIDIN-2-YLMETHOXY)BENZAMIDE | NPPA, PDE12, PDE8B | MAPK14 2602/4885MAPK11 2356/4885SMO 3442/4885 |
| US-20170135996-A1 | PHARMACEUTICAL DEPOT FOR N-{5-[(CYCLOPROPYLAMINO)CARBONYL]-2-METHYLPHENYL)-3-FLUORO-4-(PYRIDIN-2-YLMETHOXY)BENZAMIDE | NPPA, PDE12, PDE8B | MAPK14 2602/4885MAPK11 2356/4885SMO 3442/4885 |
| US-20120004243-A1 | AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS | IL2, IL6, IL1B | MAPK14 1594/4885MAPK11 2262/4885SMO 3130/4885 |
| US-20120149739-A1 | PHARMACEUTICAL DEPOT FOR N-{5-[(CYCLOPROPYLAMINO)CARBONYL]-2-METHYLPHENYL)-3-FLUORO-4-(PYRIDIN-2-YLMETHOXY)BENZAMIDE | NPPA, PDE12, PDE8B | MAPK14 2602/4885MAPK11 2356/4885SMO 3442/4885 |
| US-20090281150-A1 | Compound 249 | HDAC6, HDAC3, HDAC2 | MAPK14 1312/4885MAPK11 855/4885SMO 3491/4885 |
| US-20130035346-A1 | AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS | IL2, IL6, IL1B | MAPK14 1594/4885MAPK11 2262/4885SMO 3130/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.