SCHEMBL12340367

SCHEMBL12340367

CC(=O)N[C@H]1CC[C@H](Nc2ncc3c(N)cc(=O)n(CCCO)c3n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 8/20 0.42
MAPK10 P53779 8/20 0.42
MAPK9 P45984 7/20 0.42
MAPK14 Q16539 1/20 0.40
CNR2 P34972 5/20 0.40
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCND2 P30279 1/20 0.38
CCND3 P30281 1/20 0.38
HDAC3 O15379 1/20 0.37
PAK3 O75914 1/20 0.37
PAK1 Q13153 1/20 0.37
PAK2 Q13177 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TTK P33981 1/20 0.37
MAP4K1 Q92918 2/20 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
SCHEMBL1227459 1.00 MAPK8 (0.42) MAPK8MAPK10MAPK9MAPK14CNR2
SCHEMBL1227248 0.91 MAP4K1 (0.41) MAPK8MAPK10MAPK9MAPK14CNR2
SCHEMBL12340361 0.91 MAP4K1 (0.41) MAPK8MAPK10MAPK9MAPK14CNR2
SCHEMBL4299090 0.88 CCND1 (0.47) MAPK8MAPK10MAPK9MAPK14CDK4
SCHEMBL3305221 0.83 CCND1 (0.57) MAPK8MAPK10MAPK9MAPK14CDK4
SCHEMBL7794858 0.83 CCND1 (0.57) MAPK8MAPK10MAPK9MAPK14CDK4
SCHEMBL4300505 0.80 MAPK8 (0.55) MAPK8MAPK10MAPK9CDK4CCND1
SCHEMBL12340363 0.80 MAPK8 (0.55) MAPK8MAPK10MAPK9CDK4CCND1
SCHEMBL1227177 0.80 MAPK8 (0.55) MAPK8MAPK10MAPK9CDK4CCND1
SCHEMBL1227169 0.79 MAPK8 (0.54) MAPK8MAPK10MAPK9CDK4CCND1

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
US-8268840-B2 Pyrimidinyl pyridone inhibitors of kinases ROCHE PALO ALTO LLC (US) 2012-09-18 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 MAPK8 37/4885MAPK10 42/4885MAPK9 38/4885

“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.