SCHEMBL6817859

SCHEMBL6817859

CCCn1cnc2c(NCc3ccccc3)nc(Cl)nc21

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 5/20 0.74
TMIGD3 P0DMS9 3/20 0.69
ADORA2A P29274 3/20 0.69
ADORA1 P30542 3/20 0.69
CTSL P07711 4/20 0.65
CDK2 P24941 3/20 0.63
CCNA2 P20248 1/20 0.63
CCNA1 P78396 1/20 0.63
CACNA1B Q00975 1/20 0.63
YTHDC1 Q96MU7 1/20 0.61
HDAC1 Q13547 1/20 0.60
CCNE2 O96020 1/20 0.56
CCNE1 P24864 1/20 0.56
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL17628578 0.93 CDK1 (0.65) CDK1TMIGD3ADORA2AADORA1CTSL
SCHEMBL6152650 0.91 CTSL (0.69) CDK1TMIGD3ADORA2AADORA1CTSL
SCHEMBL20350685 0.90 CDK1 (0.73) CDK1TMIGD3ADORA2AADORA1CTSL
SCHEMBL17628580 0.88 TMIGD3 (0.70) CDK1TMIGD3ADORA2AADORA1CTSL
SCHEMBL17628618 0.88 CDK1 (0.57) CDK1TMIGD3ADORA2AADORA1CTSL
SCHEMBL6820865 0.87 PPARG (0.65) ADORA2AADORA1
SCHEMBL6944109 0.86 CCNE2 (0.76) CDK1TMIGD3ADORA2AADORA1CTSL
SCHEMBL17639878 0.85 PDE2A (0.58) CDK1TMIGD3ADORA2AADORA1CTSL
SCHEMBL8010398 0.85 CDK1 (1.00) CDK1CDK2CCNA2CCNA1YTHDC1
SCHEMBL17628575 0.84 YTHDC1 (0.53) CDK1TMIGD3ADORA2AADORA1CTSL

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752629-B2 Calcium channel agonists University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2020-08-25 US disclosed
US-10752629-B2 Calcium channel agonists University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2020-08-25 US disclosed
US-20190084984-A1 CALCIUM CHANNEL AGONISTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2019-03-21 US disclosed
US-20190084984-A1 CALCIUM CHANNEL AGONISTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2019-03-21 US disclosed
US-10174031-B2 Calcium channel agonists University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2019-01-08 US disclosed
US-10174031-B2 Calcium channel agonists University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2019-01-08 US disclosed
US-20180009810-A1 CALCIUM CHANNEL AGONISTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-01-11 US disclosed
US-20180009810-A1 CALCIUM CHANNEL AGONISTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-01-11 US disclosed
US-9796714-B2 Calcium channel agonists University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-10-24 US disclosed
US-9796714-B2 Calcium channel agonists University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-10-24 US disclosed
US-9796714-B2 Calcium channel agonists University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-10-24 US disclosed
US-20160090387-A1 CALCIUM CHANNEL AGONISTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-03-31 US disclosed
US-20160090387-A1 CALCIUM CHANNEL AGONISTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-03-31 US disclosed
US-20160090387-A1 CALCIUM CHANNEL AGONISTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-03-31 US disclosed
EP-1056745-B1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMA INC (US) 2004-06-16 EP disclosed
US-6413974-B1 INHIBITORS OF CYCLIN DEPENDENT KINASES, PARTICULARLY CDK-2; PREVENTING APOPTOSIS IN NEURONAL CELLS; ANTINEOPLASTIC AGENTS; NEURONAL INJURY AND DEGENERATION; CEREBROVASCULAR DISEASE AVENTIS PHARMACEUTICALS INC. 2002-07-02 US disclosed
EP-1056745-A2 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES Aventis Pharmaceuticals Inc. (US) 2000-12-06 EP disclosed
WO-1999043676-A2 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMACEUTICALS INC. (US) 1999-09-02 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 (5 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-20180009810-A1 CALCIUM CHANNEL AGONISTS CACNA1E, CACNA1C, CACNA1S CDK1 2530/4885TMIGD3 2058/4885ADORA2A 601/4885
US-20190084984-A1 CALCIUM CHANNEL AGONISTS CACNA1E, CACNA1C, CACNA1S CDK1 2530/4885TMIGD3 2058/4885ADORA2A 601/4885
US-20160090387-A1 CALCIUM CHANNEL AGONISTS CACNA1E, CACNA1C, CACNA1S CDK1 2530/4885TMIGD3 2058/4885ADORA2A 601/4885
US-10174031-B2 Calcium channel agonists CACNA1E, CACNA1C, CACNA1S CDK1 2530/4885TMIGD3 2058/4885ADORA2A 601/4885
US-10752629-B2 Calcium channel agonists CACNA1E, CACNA1C, CACNA1S CDK1 2530/4885TMIGD3 2058/4885ADORA2A 601/4885

“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.