SCHEMBL3497136

SCHEMBL3497136

Cc1nnnn1-c1cccc(Nc2ncc(C#N)c(NC3CC(C)(C)NC(C)(C)C3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 11/20 0.49
SYK P43405 2/20 0.45
CCNT1 O60563 5/20 0.39
CCNA2 P20248 5/20 0.39
CDK2 P24941 5/20 0.39
CDK9 P50750 5/20 0.39
CDK1 P06493 4/20 0.39
CCNB1 P14635 4/20 0.39
CDK7 P50613 4/20 0.39
CCNH P51946 4/20 0.39
CCNA1 P78396 4/20 0.39
LRRK2 Q5S007 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
SCHEMBL3495606 0.90 PRKCQ (0.61) PRKCQSYKCCNT1CCNA2CDK2
SCHEMBL3496204 0.90 SYK (0.40) PRKCQSYKCCNT1CCNA2CDK2
SCHEMBL3496289 0.88 PRKCQ (0.65) PRKCQSYKCDK1LRRK2
SCHEMBL3493348 0.88 PRKCQ (0.64) PRKCQSYKCCNT1CDK2CDK9
SCHEMBL1740757 0.87 PRKCQ (0.50) PRKCQSYKLRRK2
SCHEMBL1742902 0.85 PRKCQ (0.38) PRKCQSYKCCNT1CCNA2CDK2
SCHEMBL3497875 0.85 CSNK2A2 (0.49) PRKCQSYKCCNT1CCNA2CDK2
SCHEMBL1740811 0.82 LRRK2 (0.42) PRKCQSYKCDK1LRRK2
SCHEMBL3494409 0.81 SYK (0.43) PRKCQSYKCCNT1CCNA2CDK2
SCHEMBL1740742 0.81 SYK (0.42) PRKCQSYKCCNT1CCNA2CDK2

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 460/4885CCNT1 1269/4885

“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.