SCHEMBL3497992

SCHEMBL3497992

CN1C(C)(C)CC(Nc2nc(Nc3ccc(F)c(C#N)c3)ncc2F)CC1(C)C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.54
CSNK2A2 P19784 3/20 0.45
CSNK2A1 P68400 3/20 0.45
SYK P43405 7/20 0.44
GRM5 P41594 1/20 0.40
EGFR P00533 4/20 0.39
BTK Q06187 2/20 0.39
ITK Q08881 1/20 0.39
AURKA O14965 1/20 0.39
BCL6 P41182 1/20 0.39
CCNT1 O60563 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CDK9 P50750 1/20 0.38

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
SCHEMBL3496000 0.94 PRKCQ (0.54) PRKCQCSNK2A2CSNK2A1SYKGRM5
SCHEMBL3496812 0.93 PRKCQ (0.55) PRKCQCSNK2A2CSNK2A1SYKGRM5
SCHEMBL3497098 0.92 PRKCQ (0.46) PRKCQCSNK2A2CSNK2A1GRM5EGFR
SCHEMBL3495391 0.92 PRKCQ (0.52) PRKCQCSNK2A2CSNK2A1SYKGRM5
SCHEMBL3494720 0.90 ULK1 (0.49)
SCHEMBL3497242 0.90 PRKCQ (0.52) PRKCQCSNK2A2CSNK2A1SYKGRM5
SCHEMBL3495489 0.89 PRKCQ (0.50) PRKCQCSNK2A2CSNK2A1SYKEGFR
SCHEMBL3496243 0.89 PRKCQ (0.49) PRKCQCSNK2A2CSNK2A1SYKGRM5
SCHEMBL3497842 0.89 KDR (0.50) PRKCQCSNK2A2CSNK2A1SYKEGFR
SCHEMBL3495812 0.88 PRKCQ (0.51) PRKCQCSNK2A2CSNK2A1SYK

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-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. 2010-05-27 US 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 3/4885CSNK2A2 643/4885CSNK2A1 617/4885

“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.