SCHEMBL4616002

SCHEMBL4616002

Cc1[nH]c(C(N)=O)c(C)c1-c1ccnc(Nc2ccc(F)cc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 1.00
CDK4 P11802 9/20 1.00
EIF2AK2 P19525 6/20 0.62
MAPK8 P45983 1/20 0.46
MAPK10 P53779 1/20 0.46
SYK P43405 1/20 0.45
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44

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
SCHEMBL6600525 0.86 CDK2 (0.74) CDK2CDK4EIF2AK2
SCHEMBL8317316 0.85 CDK2 (0.74) CDK2CDK4EIF2AK2
SCHEMBL6599784 0.85 CDK2 (0.76) CDK2CDK4EIF2AK2SYK
SCHEMBL5274096 0.84 CDK2 (0.73) CDK2CDK4EIF2AK2SYKPIK3CA
SCHEMBL5203801 0.83 CDK2 (0.74) CDK2CDK4EIF2AK2SYK
SCHEMBL4615060 0.81 CDK2 (1.00) CDK2CDK4EIF2AK2SYKPIK3CA
SCHEMBL4613646 0.81 CDK2 (1.00) CDK2CDK4EIF2AK2SYK
SCHEMBL4614634 0.78 CDK2 (1.00) CDK2CDK4EIF2AK2SYKPIK3CA
SCHEMBL27584438 0.78 CDK2 (0.67) CDK2CDK4EIF2AK2SYKPIK3CA
SCHEMBL4613384 0.78 CDK2 (1.00) CDK2CDK4EIF2AK2SYK

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100519553-C Inhiitors of cyclin dependent kinases as anti-cancer agent CYCLACEL LTD (GB) 2009-07-29 CN claimed
CN-100425239-C Therapeutic applications of 2-substituted 4-heteroarylpyrimidines CYCLACEL LTD (GB) 2008-10-15 CN claimed
US-7262202-B2 Inhibitors of cyclin dependent kinases as anti-cancer agent CYCLACEL LIMITED (GB) 2007-08-28 US claimed
US-20070185134-A1 Inhibitors of cyclin dependent kinases as anti-cancer agent CYCLACEL LIMITED (GB) 2007-08-09 US claimed
EP-1373253-B1 INHIBITORS OF CYCLIN DEPENDENT KINASES AS ANTI-CANCER AGENT CYCLACEL LTD (GB) 2007-06-20 EP claimed
CN-1720049-A Therapeutic applications of 2-substituted 4-heteroarylpyrimidines CYCLACEL LTD (GB) 2006-01-11 CN claimed
US-20050282843-A1 Therapeutic applications of 2-substituted 4-heteroarylpyrimidines CYCLACEL LIMITED (GB) 2005-12-22 US claimed
EP-1572211-A1 THERAPEUTIC APPLICATIONS OF 2-SUBSTITUTED 4-HETEROARYLPYRIMIDINES Cyclacel Limited (GB) 2005-09-14 EP claimed
US-20040132746-A1 Inhibitors of cyclin dependent kinases as anti-cancer agent CYCLACEL LIMITED (GB) 2004-07-08 US claimed
WO-2004056368-A1 THERAPEUTIC APPLICATIONS OF 2-SUBSTITUTED 4-HETEROARYLRYRIMIDINES CYCLACEL LIMITED (GB) 2004-07-08 WO claimed
CN-1503794-A Inhiitors of cyclin dependent kinases as anti-cancer agent 2004-06-09 CN claimed
EP-1373253-A1 INHIBITORS OF CYCLIN DEPENDENT KINASES AS ANTI-CANCER AGENT Cyclacel Limited (GB) 2004-01-02 EP claimed
WO-2002079193-A1 INHIBITORS OF CYCLIN DEPENDENT KINASES AS ANTI-CANCER AGENT CYCLACEL LIMITED (GB) 2002-10-10 WO claimed
CN-100519553-C Inhiitors of cyclin dependent kinases as anti-cancer agent CYCLACEL LTD (GB) 2009-07-29 CN disclosed
CN-100425239-C Therapeutic applications of 2-substituted 4-heteroarylpyrimidines CYCLACEL LTD (GB) 2008-10-15 CN disclosed
EP-1572211-B1 THERAPEUTIC APPLICATIONS OF 2-SUBSTITUTED 4-HETEROARYLPYRIMIDINES CYCLACEL LTD (GB) 2008-02-20 EP disclosed
US-20040132746-A1 Inhibitors of cyclin dependent kinases as anti-cancer agent CYCLACEL LIMITED (GB) 2004-07-08 US disclosed
CN-1503794-A Inhiitors of cyclin dependent kinases as anti-cancer agent 2004-06-09 CN disclosed
EP-1373253-A1 INHIBITORS OF CYCLIN DEPENDENT KINASES AS ANTI-CANCER AGENT Cyclacel Limited (GB) 2004-01-02 EP disclosed
WO-2002079193-A1 INHIBITORS OF CYCLIN DEPENDENT KINASES AS ANTI-CANCER AGENT CYCLACEL LIMITED (GB) 2002-10-10 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 (3 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-20050282843-A1 Therapeutic applications of 2-substituted 4-heteroarylpyrimidines HRH2, HRH3, CYTH3 CDK2 810/4885CDK4 1254/4885EIF2AK2 629/4885
US-20070185134-A1 Inhibitors of cyclin dependent kinases as anti-cancer agent CDK2, CCNK, CDK3 CDK2 1/4885CDK4 5/4885EIF2AK2 831/4885
US-20040132746-A1 Inhibitors of cyclin dependent kinases as anti-cancer agent CDK2, CCNK, CDK3 CDK2 1/4885CDK4 5/4885EIF2AK2 831/4885

“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.