SCHEMBL7788226

SCHEMBL7788226

CCCCSc1ncc2ccc(=O)n(CCCO)c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 13/20 0.49
▸ CCND1 P24385 13/20 0.49
▸ CCND2 P30279 13/20 0.49
▸ CCND3 P30281 13/20 0.49
▸ CCNB2 O95067 3/20 0.49
▸ CCNE2 O96020 3/20 0.49
▸ CDK1 P06493 3/20 0.49
▸ FGFR1 P11362 3/20 0.49
▸ CCNB1 P14635 3/20 0.49
▸ CCNA2 P20248 3/20 0.49
▸ FGFR2 P21802 3/20 0.49
▸ FGFR4 P22455 3/20 0.49
▸ FGFR3 P22607 3/20 0.49
▸ CCNE1 P24864 3/20 0.49
▸ CDK2 P24941 3/20 0.49
▸ CCNA1 P78396 3/20 0.49
▸ CCNB3 Q8WWL7 3/20 0.49
▸ NPC1 O15118 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ RAB9A P51151 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
SCHEMBL7795377 0.84 CDK4 (0.50) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL7788353 0.83 NPC1 (0.41) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL6808164 0.80 CDK4 (0.58) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL7506191 0.79 CDK4 (0.54) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL23413922 0.76 PIM1 (0.51) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL6812598 0.75 CDK4 (0.56) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL6808956 0.72 CDK4 (0.60) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL7504710 0.71 CDK4 (0.56) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL24668741 0.71 CDK4 (0.46) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL24668732 0.71 CDK4 (0.42) CDK4CCND1CCND2CCND3CCNB2

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
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
WO-2010046273-A2 PYRIMIDINYL PYRIDONE INHIBITORS OF JNK F. HOFFMANN-LA ROCHE AG (CH) 2010-04-29 — — WO 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.

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