SCHEMBL3496315

SCHEMBL3496315

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

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.56
EGFR P00533 3/20 0.49
ERBB2 P04626 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
BCL6 P41182 3/20 0.48
AXL P30530 2/20 0.48
STK17A Q9UEE5 2/20 0.47
STK17B O94768 1/20 0.47
SYK P43405 3/20 0.46
ULK1 O75385 1/20 0.44
MAPK1 P28482 1/20 0.43
BCDIN3D Q7Z5W3 1/20 0.41

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
SCHEMBL3495845 0.94 PRKCQ (0.56) PRKCQEGFRERBB2HPGDHTT
SCHEMBL3496924 0.92 PRKCQ (0.57) PRKCQEGFRERBB2HPGDHTT
SCHEMBL3496389 0.91 PRKCQ (0.54) PRKCQEGFRERBB2HPGDHTT
SCHEMBL3495899 0.91 PRKCQ (0.59) PRKCQEGFRERBB2BCL6AXL
SCHEMBL3495051 0.89 BCL6 (0.63) PRKCQBCL6STK17ASTK17BSYK
SCHEMBL3495333 0.89 PRKCQ (0.53) PRKCQBCL6STK17ASTK17BSYK
SCHEMBL3497242 0.89 PRKCQ (0.52) PRKCQEGFRERBB2HPGDHTT
SCHEMBL3496512 0.89 PRKCQ (0.59) PRKCQEGFRBCL6AXLSTK17A
SCHEMBL1743511 0.88 BRD4 (0.52) PRKCQEGFRERBB2BCL6AXL
SCHEMBL3495568 0.88 PRKCQ (0.56) PRKCQEGFRBCL6SYK

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 3/4885EGFR 1181/4885ERBB2 489/4885

“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.