SCHEMBL7797846

SCHEMBL7797846

CSc1ncc2ccc(=O)n(-c3ccc(Cl)cc3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.43
CCND1 P24385 2/20 0.43
CCND2 P30279 2/20 0.43
CCND3 P30281 2/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
AHR P35869 1/20 0.39
GRM1 Q13255 3/20 0.38
POLB P06746 1/20 0.36
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GRM5 P41594 1/20 0.35
AOC3 Q16853 1/20 0.35
PTGS2 P35354 1/20 0.34

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
SCHEMBL4828472 0.86 CDK4 (0.58) CDK4CCND1CCND2CCND3MEN1
SCHEMBL15994671 0.77 CDK4 (0.43) CDK4CCND1CCND2CCND3MEN1
SCHEMBL15994795 0.77 CDK4 (0.43) CDK4CCND1CCND2CCND3MEN1
SCHEMBL30690895 0.75 CDK4 (0.51) CDK4CCND1CCND2CCND3MEN1
SCHEMBL5264100 0.75 CDK4 (0.51) CDK4CCND1CCND2CCND3MEN1
SCHEMBL12943598 0.74 MEN1 (0.37) CDK4CCND1CCND2CCND3MEN1
SCHEMBL24668611 0.73 CA1 (0.41) CDK4CCND1CCND2CCND3MEN1
SCHEMBL22724256 0.73 USP2 (0.52) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL15992517 0.72 CDK4 (0.48) CDK4CCND1CCND2CCND3MEN1
SCHEMBL5264346 0.71 CDK4 (0.59) CDK4CCND1CCND2CCND3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404695-B2 Pyrimidinyl pyridone inhibitors of JNK ROCHE PALO ALTO LLC (US) 2013-03-26 US disclosed
US-8404695-B2 Pyrimidinyl pyridone inhibitors of JNK ROCHE PALO ALTO LLC (US) 2013-03-26 US disclosed
US-20100099691-A1 PYRIMIDINYL PYRIDONE INHIBITORS OF JNK ROCHE PALO ALTO LLC 2010-04-22 US disclosed
US-20100099691-A1 PYRIMIDINYL PYRIDONE INHIBITORS OF JNK ROCHE PALO ALTO LLC 2010-04-22 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-20100099691-A1 PYRIMIDINYL PYRIDONE INHIBITORS OF JNK MAP3K20, MAP3K6, MAP3K1 CDK4 168/4885CCND1 506/4885CCND2 491/4885

“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.