SCHEMBL1226673

SCHEMBL1226673

CSc1ncc2c(O)cc(=O)n(C3CC3)c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.37
HSD17B10 Q99714 4/20 0.37
CASP1 P29466 3/20 0.37
CASP7 P55210 3/20 0.37
ALDH1A1 P00352 3/20 0.37
CLK4 Q9HAZ1 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CDK4 P11802 13/20 0.36
CCND1 P24385 13/20 0.36
CCND2 P30279 13/20 0.36
CCND3 P30281 13/20 0.36
CYP2C9 P11712 1/20 0.35
NUAK1 O60285 2/20 0.35
TTK P33981 2/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
MARK3 P27448 1/20 0.35
MARK2 Q7KZI7 1/20 0.35
MARK4 Q96L34 1/20 0.35

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
SCHEMBL1226546 0.95 CDK4 (0.41) MEN1KMT2ACDK4CCND1CCND2
SCHEMBL30878784 0.95 CDK4 (0.41) MEN1KMT2ACDK4CCND1CCND2
SCHEMBL1226187 0.94 CDK4 (0.42) MEN1KMT2ACDK4CCND1CCND2
SCHEMBL30879061 0.85 JAK1 (0.43) CDK4CCND1CCND2CCND3TTK
SCHEMBL1226950 0.85 CYP1A2 (0.37) CYP1A2HSD17B10CASP1CASP7ALDH1A1
SCHEMBL30879102 0.84 FKBP1A (0.33) CYP1A2HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL29507738 0.81 CDK4 (0.53) CDK4CCND1CCND2CCND3NUAK1
SCHEMBL2622290 0.81 CDK4 (0.53) CDK4CCND1CCND2CCND3NUAK1
SCHEMBL1227255 0.80 CDK4 (0.41) CDK4CCND1CCND2CCND3NUAK1
SCHEMBL1227335 0.80 CDK4 (0.41) MEN1KMT2ACDK4CCND1CCND2

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-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
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 CYP1A2 1460/4885HSD17B10 3667/4885CASP1 671/4885

“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.