SCHEMBL91480

SCHEMBL91480

CCC(C)c1ccnc(Nc2ccc(Cl)c(C(F)(F)F)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.49
CDK2 P24941 2/20 0.49
GSK3B P49841 11/20 0.46
RAPGEF4 Q8WZA2 1/20 0.44
BRAF P15056 1/20 0.44
MAPK14 Q16539 1/20 0.44
CCND3 P30281 3/20 0.43
PIM1 P11309 2/20 0.43
CCNA2 P20248 1/20 0.43
MTOR P42345 1/20 0.43
CCNA1 P78396 1/20 0.43
HSP90AA1 P07900 1/20 0.43
LMNA P02545 1/20 0.42
DHODH Q02127 1/20 0.41
STK17B O94768 1/20 0.41
STK17A Q9UEE5 1/20 0.41
GRM4 Q14833 1/20 0.40

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
SCHEMBL84415 0.89 CDK4 (0.52) CDK4CDK2GSK3BRAPGEF4BRAF
SCHEMBL10224747 0.83 SCN5A (0.41) CDK4CDK2GSK3BSTK17BSTK17A
SCHEMBL13524613 0.80 GSK3B (0.55) CDK4CDK2GSK3BRAPGEF4BRAF
SCHEMBL13524817 0.79 AURKA (0.63) LMNA
SCHEMBL2956376 0.71 PLK1 (0.68) CDK4CDK2GSK3BBRAFMAPK14
SCHEMBL6809405 0.71 CDK4 (0.64) CDK4CDK2CCND3CCNA2CCNA1
SCHEMBL4383661 0.71 CDK2 (0.53) CDK4CDK2GSK3BBRAFMAPK14
SCHEMBL6158114 0.71 CDK2 (0.62) CDK4CDK2CCNA2CCNA1
SCHEMBL15181324 0.71 SCN9A (0.44) CDK4CDK2GSK3BSTK17BSTK17A
SCHEMBL2087309 0.71 GSK3B (0.61) CDK4CDK2GSK3BBRAFMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 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 (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-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS CDK4 12/4885CDK2 20/4885GSK3B 1075/4885

“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.