SCHEMBL1286730

SCHEMBL1286730

COc1cccc(F)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCC(O)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 6/20 0.57
CDK2 P24941 6/20 0.57
CDK1 P06493 4/20 0.54
CCNB1 P14635 4/20 0.54
KDM5A P29375 1/20 0.44
CDK14 O94921 2/20 0.43
CCNY Q8ND76 2/20 0.43
CCNA1 P78396 1/20 0.43
POLB P06746 1/20 0.41
HCRTR1 O43613 3/20 0.41
HCRTR2 O43614 2/20 0.41
ABL1 P00519 1/20 0.41
SRC P12931 1/20 0.41
PIM1 P11309 1/20 0.40
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
MAPT P10636 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39

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
SCHEMBL13996264 1.00 CCNA2 (0.57) CCNA2CDK2CDK1CCNB1KDM5A
SCHEMBL8219404 1.00 CCNA2 (0.57) CCNA2CDK2CDK1CCNB1KDM5A
SCHEMBL13993615 0.91 CCNA2 (0.56) CCNA2CDK2CDK1CCNB1KDM5A
SCHEMBL8214922 0.91 CDK2 (0.64) CCNA2CDK2CDK1CCNB1CCNA1
SCHEMBL959133 0.90 CDK2 (0.69) CCNA2CDK2CDK1CCNB1KDM5A
SCHEMBL12000425 0.90 CCNA2 (0.54) CCNA2CDK2CDK1CCNB1KDM5A
SCHEMBL8222518 0.89 CCNA2 (0.55) CCNA2CDK2CDK1CCNB1KDM5A
SCHEMBL13996348 0.89 CDK5 (0.45) CCNA2CDK2CDK1CCNB1CDK14
SCHEMBL8263075 0.87 CCNA2 (0.52) CCNA2CDK2CDK1CCNB1KDM5A
SCHEMBL8262275 0.86 CDK2 (0.56) CCNA2CDK2CDK1CCNB1CDK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651612-B9 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASES (CDK) AND GLYCOGEN SYNTHASE KINASE-3 (GSK-3) MODULATORS ASTEX THERAPEUTICS LTD (GB) 2012-09-05 EP disclosed
EP-1651612-B1 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASES (CDK) AND GLYCOGEN SYNTHASE KINASE-3 (GSK-3) MODULATORS ASTEX THERAPEUTICS LTD (GB) 2012-04-11 EP disclosed
EP-2256106-A1 3,4-disubstituted 1H-pyrazole compounds and their use as cyclin dependent kinases (CDK) and glycogen synthase kinase-3 (GSK-3) modulators Astex Therapeutics Limited (GB) 2010-12-01 EP disclosed
US-20080306069-A1 Pyrazole Derivatives for the Inhibition of CDK'S and GSK'S ASTEX THERAPEUTICS LIMITED (UK) 2008-12-11 US disclosed
WO-2008007113-A2 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2008-01-17 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 (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-20080306069-A1 Pyrazole Derivatives for the Inhibition of CDK'S and GSK'S GSK3A, CDK11A, CDK1 CCNA2 20/4885CDK2 4/4885CDK1 3/4885

“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.