SCHEMBL3494249

SCHEMBL3494249

COc1c(C)cc(Nc2ncc(F)c(NC3CC(C)(C)N(C)C(C)(C)C3)n2)cc1C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 3/20 0.65
EGFR P00533 9/20 0.42
ITK Q08881 5/20 0.42
BTK Q06187 6/20 0.41
SYK P43405 7/20 0.41
AURKA O14965 4/20 0.41
AURKB Q96GD4 3/20 0.40
BCL6 P41182 1/20 0.40
KDR P35968 3/20 0.39
CDC7 O00311 2/20 0.39
PLK4 O00444 2/20 0.39
CHEK1 O14757 2/20 0.39
PDPK1 O15530 2/20 0.39
DAPK3 O43293 2/20 0.39
JAK2 O60674 2/20 0.39
ROCK2 O75116 2/20 0.39
PRKD3 O94806 2/20 0.39
PAK4 O96013 2/20 0.39
ABL1 P00519 2/20 0.39
ERBB2 P04626 2/20 0.39

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
SCHEMBL3494068 0.90 PRKCQ (0.62) PRKCQEGFRITKBTKSYK
SCHEMBL3492920 0.88 PRKCQ (0.75) PRKCQEGFRITKBTKSYK
SCHEMBL3497767 0.86 PRKCQ (0.62) PRKCQEGFRITKBTKSYK
SCHEMBL3493194 0.85 PRKCQ (0.61) PRKCQEGFRITKBTKSYK
SCHEMBL3495009 0.85 PRKCQ (0.61) PRKCQEGFRITKBTKSYK
SCHEMBL3493830 0.85 PRKCQ (0.71) PRKCQEGFRITKBTKSYK
SCHEMBL3497332 0.84 PRKCQ (0.56) PRKCQEGFRITKBTKSYK
SCHEMBL3495402 0.83 PRKCQ (0.69) PRKCQEGFRITKBTKSYK
SCHEMBL3496512 0.83 PRKCQ (0.59) PRKCQEGFRBTKSYKAURKA
SCHEMBL3497300 0.83 PRKCQ (0.59) PRKCQEGFRITKBTKSYK

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 3/4885EGFR 1181/4885ITK 1065/4885

“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.