SCHEMBL3300919

SCHEMBL3300919

O=C(NCCCn1c(=O)ccc2cnc(NC3CCCCC3)nc21)C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCND1 P24385 10/20 0.61
CDK4 P11802 5/20 0.61
CCND2 P30279 2/20 0.61
CCND3 P30281 2/20 0.61
MAPK8 P45983 9/20 0.48
MAPK10 P53779 9/20 0.48
MAPK9 P45984 8/20 0.48
CCNE1 P24864 9/20 0.44
CDK2 P24941 9/20 0.44
CDK6 Q00534 8/20 0.44
CCNT1 O60563 3/20 0.44
CDK9 P50750 3/20 0.44

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
SCHEMBL3301745 0.83 CCND1 (0.72) CCND1CDK4CCND2CCND3MAPK8
SCHEMBL3305407 0.81 CCND1 (0.72) CCND1CDK4CCND2CCND3MAPK8
SCHEMBL3304050 0.81 CCND1 (0.79) CCND1CDK4CCND2CCND3MAPK8
SCHEMBL3310099 0.80 CCND1 (0.67) CCND1CDK4CCND2CCND3MAPK8
SCHEMBL3304075 0.79 CCND1 (0.66) CCND1CDK4CCND2CCND3MAPK8
SCHEMBL3300306 0.79 CCND1 (0.71) CCND1CDK4CCND2CCND3MAPK8
SCHEMBL7788155 0.78 CCND1 (0.64) CCND1CDK4CCND2CCND3MAPK8
SCHEMBL7797717 0.77 CCND1 (0.66) CCND1CDK4CCND2CCND3MAPK8
SCHEMBL4359995 0.77 CCND1 (1.00) CCND1CDK4CCND2CCND3MAPK8
SCHEMBL7795102 0.75 MAPK8 (0.63) CCND1CDK4CCND2CCND3MAPK8

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 7 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-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
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 CCND1 506/4885CDK4 168/4885CCND2 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.