SCHEMBL5201243

SCHEMBL5201243

Cc1c[nH]c(C)c1-c1ccnc(Nc2ccc(Cl)cc2Cl)n1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 7/20 0.63
PIK3CA P42336 6/20 0.62
PIK3CB P42338 6/20 0.62
RET P07949 2/20 0.58
CDK4 P11802 2/20 0.53
CDK2 P24941 2/20 0.53
EIF2AK2 P19525 6/20 0.49
PLK1 P53350 1/20 0.43
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
SCN9A Q15858 1/20 0.41

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
SCHEMBL5200962 0.84 EIF2AK2 (0.61) PIK3CGPIK3CAPIK3CBCDK4CDK2
SCHEMBL5200887 0.82 CDK2 (0.69) PIK3CGPIK3CAPIK3CBCDK4CDK2
SCHEMBL5201050 0.80 CDK2 (0.52) PIK3CGRETCDK4CDK2EIF2AK2
SCHEMBL5206401 0.78 CDK2 (0.58) PIK3CGPIK3CAPIK3CBCDK4CDK2
SCHEMBL5201023 0.76 EIF2AK2 (0.63) CDK4CDK2EIF2AK2
SCHEMBL6156615 0.76 CDK2 (0.70) PIK3CGPIK3CAPIK3CBCDK4CDK2
SCHEMBL5200728 0.76 GSK3B (0.55) CDK4CDK2
SCHEMBL5201197 0.76 CDK2 (0.60) CDK4CDK2EIF2AK2
SCHEMBL5206202 0.74 CDK2 (0.58) CDK4CDK2EIF2AK2PLK1CCNB2
SCHEMBL4614605 0.74 CDK2 (0.63) PIK3CGPIK3CAPIK3CBCDK4CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20040132746-A1 Inhibitors of cyclin dependent kinases as anti-cancer agent CYCLACEL LIMITED (GB) 2004-07-08 US claimed
US-7262202-B2 Inhibitors of cyclin dependent kinases as anti-cancer agent CYCLACEL LIMITED (GB) 2007-08-28 US disclosed
US-20070185134-A1 Inhibitors of cyclin dependent kinases as anti-cancer agent CYCLACEL LIMITED (GB) 2007-08-09 US disclosed
US-20040132746-A1 Inhibitors of cyclin dependent kinases as anti-cancer agent CYCLACEL LIMITED (GB) 2004-07-08 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 (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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070185134-A1 Inhibitors of cyclin dependent kinases as anti-cancer agent CDK2, CCNK, CDK3 PIK3CG 271/4885PIK3CA 155/4885PIK3CB 226/4885
US-20040132746-A1 Inhibitors of cyclin dependent kinases as anti-cancer agent CDK2, CCNK, CDK3 PIK3CG 271/4885PIK3CA 155/4885PIK3CB 226/4885

“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.