SCHEMBL3496441

SCHEMBL3496441

CCON1N=NN(c2cccc(Nc3ncc(C#N)c(NC4CC(C)(C)N(C)C(C)(C)C4)n3)c2)C1CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 7/20 0.39
SYK P43405 1/20 0.38
CSNK2A2 P19784 4/20 0.34
CSNK2A1 P68400 3/20 0.34
CDK7 P50613 5/20 0.34
CCNT1 O60563 5/20 0.34
CCNA2 P20248 5/20 0.34
CDK2 P24941 5/20 0.34
CDK9 P50750 5/20 0.34
CDK1 P06493 4/20 0.34
CCNB1 P14635 4/20 0.34
CCNH P51946 4/20 0.34
CCNA1 P78396 4/20 0.34
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
PAK4 O96013 1/20 0.34
LCK P06239 1/20 0.34

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
SCHEMBL3496294 0.91 SYK (0.38) PRKCQSYKCSNK2A2CSNK2A1CDK7
SCHEMBL3494855 0.89 PRKCQ (0.51) PRKCQSYKCCNT1CDK2CDK9
SCHEMBL1739937 0.82 PRKCQ (0.38) PRKCQSYKCSNK2A2CSNK2A1CDK7
SCHEMBL3493782 0.80 SYK (0.42) PRKCQSYKCCNT1CDK2CDK9
SCHEMBL3497290 0.79 SYK (0.43) PRKCQSYKCSNK2A2CSNK2A1CDK7
SCHEMBL3494922 0.79 SYK (0.51) PRKCQSYKCDK1IGF1RJAK3
SCHEMBL1740840 0.78 PRKCQ (0.42) PRKCQSYKCSNK2A2CSNK2A1CDK7
SCHEMBL3493908 0.77 CSNK2A2 (0.49) PRKCQSYKCSNK2A2CSNK2A1CDK7
SCHEMBL3495606 0.76 PRKCQ (0.61) PRKCQSYKCDK7CCNT1CCNA2
SCHEMBL3493787 0.75 PRKCQ (0.43) PRKCQSYKCSNK2A2CSNK2A1CDK7

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 460/4885CSNK2A2 643/4885

“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.