3-Deazaneplanocin A

3-Deazaneplanocin A

SCHEMBL4304150

Cl.Nc1nccc2c1ncn2[C@@H]1C=C(CO)[C@@H](O)[C@H]1O

nearest known ligand 0.97

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of 3-Deazaneplanocin A. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 12/20 0.97
▸ EZH2 Q15910 1/20 0.97
▸ AHCYL1 O43865 2/20 0.63
▸ CDA P32320 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ DNMT1 P26358 1/20 0.45
▸ DNMT3B Q9UBC3 1/20 0.45

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.

Compoundsimilaritytop predictedshared targets
3-Deazaneplanocin A SCHEMBL20595432 1.00 AHCY (0.97) AHCYEZH2AHCYL1CDASMN1; SMN2
3-Deazaneplanocin A SCHEMBL29379532 1.00 AHCY (0.97) AHCYEZH2AHCYL1CDASMN1; SMN2
3-Deazaneplanocin A SCHEMBL12280318 0.99 AHCY (1.00) AHCYEZH2AHCYL1CDASMN1; SMN2
3-Deazaneplanocin A SCHEMBL874126 0.99 AHCY (1.00) AHCYEZH2AHCYL1CDASMN1; SMN2
3-Deazaneplanocin A SCHEMBL12321313 0.99 AHCY (1.00) AHCYEZH2AHCYL1CDASMN1; SMN2
3-Deazaneplanocin A SCHEMBL23683021 0.99 AHCY (1.00) AHCYEZH2AHCYL1CDASMN1; SMN2
3-Deazaneplanocin A SCHEMBL863851 0.99 AHCY (1.00) AHCYEZH2AHCYL1CDASMN1; SMN2
3-Deazaneplanocin A SCHEMBL1521229 0.99 AHCY (1.00) AHCYEZH2AHCYL1CDASMN1; SMN2
3-Deazaneplanocin A SCHEMBL18256281 0.99 AHCY (1.00) AHCYEZH2AHCYL1CDASMN1; SMN2
3-Deazaneplanocin A SCHEMBL29358420 0.99 AHCY (1.00) AHCYEZH2AHCYL1CDASMN1; SMN2

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2908843-B1 TREATING CANCER AGENCY SCIENCE TECH & RES (SG) 2019-09-04 — — EP claimed
US-9889180-B2 Method of treating cancer AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-02-13 — — US claimed
US-20150258175-A1 METHOD OF TREATING CANCER AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-09-17 — — US claimed
EP-2908843-A1 METHOD OF TREATING CANCER Agency For Science, Technology And Research (SG) 2015-08-26 — — EP claimed
WO-2014077784-A1 METHOD OF TREATING CANCER AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-05-22 — — WO claimed
US-10928405-B2 Devices and methods for determining and/or isolating cells such as circulating cancer or fetal cells ANALIZA, INC. (US) 2021-02-23 — — US disclosed
EP-3702783-A1 METHODS FOR DETERMINING CELLS SUCH AS CIRCULATING CANCER OR FETAL CELLS Analiza, Inc. (US) 2020-09-02 — — EP disclosed
EP-3080341-B1 METHODS FOR DETERMINING AND/OR ISOLATING CELLS SUCH AS CIRCULATING CANCER OR FETAL CELLS ANALIZA INC (US) 2020-02-12 — — EP disclosed
EP-2908843-B1 TREATING CANCER AGENCY SCIENCE TECH & RES (SG) 2019-09-04 — — EP disclosed
US-20190178901-A1 DEVICES AND METHODS FOR DETERMINING AND/OR ISOLATING CELLS SUCH AS CIRCULATING CANCER OR FETAL CELLS ANALIZA, INC. (US) 2019-06-13 — — US disclosed
US-9889180-B2 Method of treating cancer AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-02-13 — — US disclosed
US-20150258175-A1 METHOD OF TREATING CANCER AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-09-17 — — US disclosed
US-20150160246-A1 DEVICES AND METHODS FOR DETERMINING AND/OR ISOLATING CELLS SUCH AS CIRCULATING CANCER OR FETAL CELLS ANALIZA, INC. (US) 2015-06-11 — — US disclosed
US-20090270431-A1 Cyclopentenol Nucleoside Compounds Intermediates for their Synthesis and Methods of Treating Viral Infections THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION (US) 2009-10-29 — — US 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 (1 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090270431-A1 Cyclopentenol Nucleoside Compounds Intermediates for their Synthesis and Methods of Treating Viral Infections REV1, NSUN2, ORC3 AHCY 911/4885EZH2 4168/4885AHCYL1 584/4885

“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.

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