SCHEMBL7797648

SCHEMBL7797648

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.54
CCNE1 P24864 14/20 0.52
CDK2 P24941 14/20 0.52
CCND1 P24385 12/20 0.52
CDK6 Q00534 12/20 0.52
MAPK8 P45983 1/20 0.50
MAPK9 P45984 1/20 0.50
MAPK10 P53779 1/20 0.50
FGFR1 P11362 2/20 0.49
HDAC3 O15379 1/20 0.49
PAK3 O75914 1/20 0.49
PAK1 Q13153 1/20 0.49
PAK2 Q13177 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
CCNT1 O60563 1/20 0.48
CDK4 P11802 1/20 0.48

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
SCHEMBL3308727 1.00 MAPK14 (0.54) MAPK14CCNE1CDK2CCND1CDK6
SCHEMBL3304115 0.92 CCND1 (0.54) MAPK14CCNE1CDK2CCND1CDK6
SCHEMBL3305259 0.85 MAPK14 (0.62) MAPK14CCNE1CDK2CCND1CDK6
SCHEMBL7798583 0.85 MAPK14 (0.62) MAPK14CCNE1CDK2CCND1CDK6
SCHEMBL7795102 0.83 MAPK8 (0.63) MAPK14CCNE1CDK2CCND1CDK6
SCHEMBL3304581 0.83 MAPK8 (0.63) MAPK14CCNE1CDK2CCND1CDK6
SCHEMBL24668755 0.77 CCNE1 (0.65) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL24668754 0.75 CCNE1 (0.65) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL7794888 0.74 MAPK8 (0.61) MAPK14CCNE1CDK2CCND1CDK6
SCHEMBL3305798 0.74 MAPK8 (0.61) MAPK14CCNE1CDK2CCND1CDK6

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.