SCHEMBL3495601

SCHEMBL3495601

COc1cc(Nc2ncc(C#N)c(NC3CC(C)(C)N(C)C(C)(C)C3)n2)cc(-n2cnnn2)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 5/20 0.57
SYK P43405 2/20 0.47
NUAK1 O60285 1/20 0.38
LRRK2 Q5S007 3/20 0.38
CSNK2A2 P19784 3/20 0.38
LMNA P02545 1/20 0.37
PLK1 P53350 1/20 0.37
CDK1 P06493 1/20 0.37
KDR P35968 1/20 0.37
BRD4 O60885 1/20 0.37
KMT2A Q03164 1/20 0.36
CSNK2A1 P68400 2/20 0.36

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
SCHEMBL3496002 0.91 SYK (0.47) PRKCQSYKNUAK1LRRK2CSNK2A2
SCHEMBL3493908 0.88 CSNK2A2 (0.49) PRKCQSYKCSNK2A2CDK1CSNK2A1
SCHEMBL3495008 0.88 PRKCQ (0.73) PRKCQSYKLRRK2LMNA
SCHEMBL3494403 0.88 PRKCQ (0.57) PRKCQNUAK1LRRK2CSNK2A2PLK1
SCHEMBL3495262 0.86 PRKCQ (0.59) PRKCQSYKLRRK2
SCHEMBL3494848 0.85 SYK (0.63) PRKCQSYK
SCHEMBL3493786 0.85 PRKCQ (0.79) PRKCQSYKNUAK1LRRK2CSNK2A2
SCHEMBL3497288 0.83 PRKCQ (0.42) PRKCQSYKLRRK2CSNK2A2KDR
SCHEMBL1740839 0.82 PRKCQ (0.47) PRKCQSYKLRRK2CSNK2A2KDR
SCHEMBL3496516 0.79 PRKCQ (0.57) PRKCQSYKNUAK1CSNK2A2BRD4

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-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. 2010-05-27 US claimed
EP-2183225-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2010-05-12 EP claimed
WO-2009012421-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2009-01-22 WO claimed
US-8993585-B2 Cyclic amine substituted pyrimidinediamines as PKC inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. 2010-05-27 US disclosed
EP-2183225-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2010-05-12 EP disclosed
WO-2009012421-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2009-01-22 WO 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-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS PRKCH, PKD2, PRKCQ PRKCQ 3/4885SYK 460/4885NUAK1 1042/4885

“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.