SCHEMBL3495576

SCHEMBL3495576

Cc1ccc(Nc2ncc(F)c(NC3CCC(C)(C)N(C)C(C)(C)C3)n2)cc1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 3/20 0.49
CSNK2A2 P19784 4/20 0.42
CSNK2A1 P68400 4/20 0.42
SYK P43405 3/20 0.39
EGFR P00533 5/20 0.38
JAK2 O60674 3/20 0.38
BTK Q06187 3/20 0.38
ITK Q08881 3/20 0.38
KDR P35968 2/20 0.38
AURKA O14965 2/20 0.38
CDC7 O00311 1/20 0.38
PLK4 O00444 1/20 0.38
CHEK1 O14757 1/20 0.38
DCLK1 O15075 1/20 0.38
PDPK1 O15530 1/20 0.38
DAPK3 O43293 1/20 0.38
ROCK2 O75116 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
PAK4 O96013 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
SCHEMBL3496812 0.94 PRKCQ (0.55) PRKCQCSNK2A2CSNK2A1SYKEGFR
SCHEMBL3496000 0.87 PRKCQ (0.54) PRKCQCSNK2A2CSNK2A1SYKEGFR
SCHEMBL3497992 0.87 PRKCQ (0.54) PRKCQCSNK2A2CSNK2A1SYKEGFR
SCHEMBL3495391 0.84 PRKCQ (0.52) PRKCQCSNK2A2CSNK2A1SYKEGFR
SCHEMBL3495670 0.83 JAK1 (0.44) PRKCQCSNK2A2CSNK2A1JAK2AURKA
SCHEMBL3494684 0.83 PRKCQ (0.43) PRKCQCSNK2A2CSNK2A1SYKEGFR
SCHEMBL3496313 0.83 ULK1 (0.49) CHEK1KITFLT3
SCHEMBL3497242 0.82 PRKCQ (0.52) PRKCQCSNK2A2CSNK2A1SYKEGFR
SCHEMBL3495489 0.82 PRKCQ (0.50) PRKCQCSNK2A2CSNK2A1SYKEGFR
SCHEMBL3496256 0.82 PRKCQ (0.55) PRKCQSYKEGFRBTKITK

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.