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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE7A known ✓ | Q13946 | 1/20 | 0.70 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.70 |
| ▸ | PDE2A | O00408 | 20/20 | 0.98 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.98 |
| ▸ | PDE11A | Q9HCR9 | 1/20 | 0.71 |
| ▸ | PDE6D | O43924 | 1/20 | 0.70 |
| ▸ | PDE6A | P16499 | 1/20 | 0.70 |
| ▸ | PDE6G | P18545 | 1/20 | 0.70 |
| ▸ | PDE6B | P35913 | 1/20 | 0.70 |
| ▸ | PDE6C | P51160 | 1/20 | 0.70 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.70 |
| ▸ | PDE6H | Q13956 | 1/20 | 0.70 |
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 | |
|---|---|---|---|---|
| SCHEMBL14362149 | 0.99 | PDE2A (1.00) | PDE2APDE10APDE11APDE6DPDE6A | |
| SCHEMBL14361752 | 0.96 | PDE2A (1.00) | PDE2APDE10APDE11APDE6DPDE6A | |
| SCHEMBL14362242 | 0.93 | PDE2A (1.00) | PDE2APDE10APDE11APDE6DPDE6A | |
| SCHEMBL14362062 | 0.92 | PDE2A (0.86) | PDE2APDE10A | |
| SCHEMBL14361989 | 0.90 | PDE2A (0.84) | PDE2APDE10A | |
| SCHEMBL14362134 | 0.90 | PDE2A (0.83) | PDE2APDE10A | |
| SCHEMBL14361892 | 0.89 | PDE2A (1.00) | PDE2APDE10APDE11APDE6DPDE6A | |
| SCHEMBL14360423 | 0.88 | PDE2A (0.80) | PDE2APDE10A | |
| SCHEMBL14361976 | 0.87 | PDE2A (0.84) | PDE2APDE10A | |
| SCHEMBL14362028 | 0.87 | PDE2A (1.00) | PDE2APDE10APDE11APDE6DPDE6A |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2863909-B1 | COMBINATIONS COMPRISING 4-METHYL-[1,2,4]TRIAZOLO[4,3-A]QUINOXALINE COMPOUNDS AS PDE 2 INHIBITORS AND PDE 10 INHIBITORS FOR USE IN THE TREATMENT OF NEUROLOGICAL OR METABOLIC DISORDERS | JANSSEN PHARMACEUTICA NV (BE) | 2020-11-04 | — | — | EP | disclosed |
| US-10604523-B2 | 1-aryl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline derivatives | JANSSEN PHARMACEUTICA NV (BE) | 2020-03-31 | — | — | US | disclosed |
| US-9669035-B2 | Combinations comprising PDE 2 inhibitors such as 1-aryl-4-methyl-[1,2,4]triazolo-[4,3-A]]quinoxaline compounds and PDE 10 inhibitors for use in the treatment of neurological of metabolic disorders | JANSSEN PHARMACEUTICA NV (BE) | 2017-06-06 | — | — | US | disclosed |
| EP-2723744-B1 | 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2016-03-23 | — | — | EP | disclosed |
| US-20150366873-A1 | COMBINATIONS COMPRISING PDE 2 INHIBITORS SUCH AS 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO-[4,3-A]]QUINOXALINE COMPOUNDS AND PDE 10 INHIBITORS FOR USE IN THE TREATMENT OF NEUROLOGICAL OF METABOLIC DISORDERS | JANSSEN PHARMACEUTICA NV (BE) | 2015-12-24 | — | — | US | disclosed |
| EP-2863909-A1 | COMBINATIONS COMPRISING PDE 2 INHIBITORS SUCH AS 1-ARYL-4-METHYL- [1,2,4]TRIAZOLO [4,3-A]QUINOXALINE COMPOUNDS AND PDE 10 INHIBITORS FOR USE IN THE TREATMENT OF NEUROLOGICAL OR METABOLIC DISORDERS | Janssen Pharmaceutica N.V. (BE) | 2015-04-29 | — | — | EP | disclosed |
| EP-2723744-A1 | 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES | Janssen Pharmaceutica, N.V. (BE) | 2014-04-30 | — | — | EP | disclosed |
| WO-2014001314-A1 | COMBINATIONS COMPRISING PDE 2 INHIBITORS SUCH AS 1-ARYL-4-METHYL- [1,2,4] TRIAZOLO [4,3-A] QUINOXALINE COMPOUNDS AND PDE 10 INHIBITORS FOR USE IN THE TREATMENT OF NEUROLOGICAL OR METABOLIC DISORDERS | JANSSEN PHARMACEUTICA NV (BE) | 2014-01-03 | — | — | WO | disclosed |
| WO-2013000924-A1 | 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2013-01-03 | — | — | 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 (2 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-10604523-B2 | 1-aryl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline derivatives | PDE2A, PDE12, PDE5A | PDE7A 7/4885PDE3A 6/4885PDE2A 1/4885 |
| US-20150366873-A1 | COMBINATIONS COMPRISING PDE 2 INHIBITORS SUCH AS 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO-[4,3-A]]QUINOXALINE COMPOUNDS AND PDE 10 INHIBITORS FOR USE IN THE TREATMENT OF NEUROLOGICAL OF METABOLIC DISORDERS | PDE12, PDE5A, PDE2A | PDE7A 13/4885PDE3A 6/4885PDE2A 3/4885 |
“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.