SCHEMBL7798583

SCHEMBL7798583

Cc1cc2cnc(N[C@H]3CC[C@H](O)CC3)nc2n(C)c1=O

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.62
CCNE1 P24864 14/20 0.59
CDK2 P24941 14/20 0.59
CCND1 P24385 11/20 0.59
CDK6 Q00534 11/20 0.59
MAPK8 P45983 2/20 0.55
MAPK9 P45984 1/20 0.55
MAPK10 P53779 1/20 0.55
CCNT1 O60563 1/20 0.54
CDK4 P11802 1/20 0.54
CDK9 P50750 1/20 0.54
FGFR1 P11362 1/20 0.52

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
SCHEMBL3305259 1.00 MAPK14 (0.62) MAPK14CCNE1CDK2CCND1CDK6
SCHEMBL3308727 0.85 MAPK14 (0.54) MAPK14CCNE1CDK2CCND1CDK6
SCHEMBL7797648 0.85 MAPK14 (0.54) MAPK14CCNE1CDK2CCND1CDK6
SCHEMBL7794897 0.81 MAPK8 (0.73) MAPK14CCNE1CDK2CCND1CDK6
SCHEMBL3305016 0.81 MAPK8 (0.73) MAPK14CCNE1CDK2CCND1CDK6
SCHEMBL6336324 0.80 MAPK14 (0.79) MAPK14MAPK8MAPK9MAPK10FGFR1
SCHEMBL6336323 0.80 MAPK14 (0.79) MAPK14MAPK8MAPK9MAPK10FGFR1
SCHEMBL14014916 0.80 MAPK14 (0.61) MAPK14MAPK8MAPK9MAPK10FGFR1
SCHEMBL5114894 0.78 MAPK14 (0.80) MAPK14MAPK8MAPK9MAPK10
SCHEMBL14014164 0.78 MAPK14 (0.80) MAPK14MAPK8MAPK9MAPK10

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 MAPK14 34/4885CCNE1 725/4885CDK2 41/4885

“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.