SCHEMBL5200728

SCHEMBL5200728

Cc1c[nH]c(C)c1-c1ccnc(Nc2ccc(Cl)c(C(F)(F)F)c2)n1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.55
CDK4 P11802 7/20 0.55
CDK2 P24941 6/20 0.55
BRAF P15056 1/20 0.51
MAPK14 Q16539 1/20 0.51
CCND3 P30281 2/20 0.46
PIM1 P11309 1/20 0.46
CCNA2 P20248 1/20 0.46
MTOR P42345 1/20 0.46
CCNA1 P78396 1/20 0.46
RAPGEF4 Q8WZA2 1/20 0.46
SYK P43405 1/20 0.43

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
SCHEMBL5204073 0.82 CDK2 (0.60) GSK3BCDK4CDK2SYK
SCHEMBL5206401 0.82 CDK2 (0.58) CDK4CDK2
SCHEMBL5200962 0.81 EIF2AK2 (0.61) CDK4CDK2
SCHEMBL5203806 0.81 CDK2 (0.65) GSK3BCDK4CDK2MTOR
SCHEMBL5201023 0.80 EIF2AK2 (0.63) GSK3BCDK4CDK2
SCHEMBL5200887 0.79 CDK2 (0.69) CDK4CDK2CCNA2MTOR
SCHEMBL4614605 0.79 CDK2 (0.63) GSK3BCDK4CDK2SYK
SCHEMBL13524613 0.78 GSK3B (0.55) GSK3BCDK4CDK2BRAFMAPK14
SCHEMBL5201197 0.78 CDK2 (0.60) GSK3BCDK4CDK2SYK
SCHEMBL5202628 0.78 CDK2 (0.58) GSK3BCDK4CDK2

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 GSK3B 423/4885CDK4 5/4885CDK2 1/4885
US-20040132746-A1 Inhibitors of cyclin dependent kinases as anti-cancer agent CDK2, CCNK, CDK3 GSK3B 423/4885CDK4 5/4885CDK2 1/4885

“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.