SCHEMBL1226546

SCHEMBL1226546

CSc1ncc2c(O)cc(=O)n(C3CCCC3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 18/20 0.41
CCND1 P24385 18/20 0.41
CCND2 P30279 18/20 0.41
CCND3 P30281 18/20 0.41
NUAK1 O60285 2/20 0.40
MARK3 P27448 1/20 0.40
MARK2 Q7KZI7 1/20 0.40
MARK4 Q96L34 1/20 0.40
NUAK2 Q9H093 1/20 0.40
MARK1 Q9P0L2 1/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
FGFR1 P11362 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR4 P22455 1/20 0.39
FGFR3 P22607 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL30878784 1.00 CDK4 (0.41) CDK4CCND1CCND2CCND3NUAK1
SCHEMBL1226187 0.99 CDK4 (0.42) CDK4CCND1CCND2CCND3NUAK1
SCHEMBL1226673 0.95 CYP1A2 (0.37) CDK4CCND1CCND2CCND3NUAK1
SCHEMBL29507738 0.86 CDK4 (0.53) CDK4CCND1CCND2CCND3NUAK1
SCHEMBL2622290 0.86 CDK4 (0.53) CDK4CCND1CCND2CCND3NUAK1
SCHEMBL7076399 0.85 CDK4 (0.52) CDK4CCND1CCND2CCND3NUAK1
SCHEMBL1227255 0.85 CDK4 (0.41) CDK4CCND1CCND2CCND3NUAK1
SCHEMBL1227335 0.85 CDK4 (0.41) CDK4CCND1CCND2CCND3NUAK1
SCHEMBL1227274 0.84 CDK4 (0.42) CDK4CCND1CCND2CCND3NUAK1
SCHEMBL1226050 0.83 CDK4 (0.41) CDK4CCND1CCND2CCND3NUAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268840-B2 Pyrimidinyl pyridone inhibitors of kinases ROCHE PALO ALTO LLC (US) 2012-09-18 US disclosed
US-8268840-B2 Pyrimidinyl pyridone inhibitors of kinases ROCHE PALO ALTO LLC (US) 2012-09-18 US disclosed
US-8268840-B2 Pyrimidinyl pyridone inhibitors of kinases ROCHE PALO ALTO LLC (US) 2012-09-18 US disclosed
EP-2280969-A1 PYRIMIDINYL PYRIDONE INHIBITORS OF JNK. F. Hoffmann-La Roche AG (CH) 2011-02-09 EP disclosed
WO-2009132980-A1 PYRIMIDINYL PYRIDONE INHIBITORS OF JNK. F. HOFFMANN-LA ROCHE AG (CH) 2009-11-05 WO disclosed
WO-2009132980-A1 PYRIMIDINYL PYRIDONE INHIBITORS OF JNK. F. HOFFMANN-LA ROCHE AG (CH) 2009-11-05 WO disclosed
US-20090270389-A1 Pyrimidinyl pyridone inhibitors of kinases ROCHE PALO ALTO LLC 2009-10-29 US disclosed
US-20090270389-A1 Pyrimidinyl pyridone inhibitors of kinases ROCHE PALO ALTO LLC 2009-10-29 US disclosed
US-20090270389-A1 Pyrimidinyl pyridone inhibitors of kinases ROCHE PALO ALTO LLC 2009-10-29 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-20090270389-A1 Pyrimidinyl pyridone inhibitors of kinases MAP3K1, MAP3K20, MAP3K6 CDK4 144/4885CCND1 492/4885CCND2 538/4885

“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.