SCHEMBL3496703

SCHEMBL3496703

CN1C(C)(C)CC(Nc2nc(Nc3ccc(-c4ccncc4)c(C#N)c3)ncc2F)CC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 3/20 0.49
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CSNK2A2 P19784 3/20 0.40
CSNK2A1 P68400 3/20 0.40
SYK P43405 4/20 0.39
GRM5 P41594 1/20 0.38
PRKCD Q05655 1/20 0.38
EGFR P00533 2/20 0.36
KIT P10721 1/20 0.36
FLT3 P36888 1/20 0.36
BTK Q06187 1/20 0.36
BUB1 O43683 1/20 0.35
MAP3K14 Q99558 2/20 0.35
ITK Q08881 1/20 0.35
CHEK1 O14757 1/20 0.35
CSF1R P07333 1/20 0.35
CDK4 P11802 1/20 0.35

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
SCHEMBL3494059 0.92 PRKCQ (0.49) PRKCQCSNK2A2CSNK2A1SYKGRM5
SCHEMBL3496705 0.90 PRKCQ (0.48) PRKCQCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3496602 0.90 PRKCQ (0.53) PRKCQCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3494377 0.89 PRKCQ (0.53) PRKCQCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3496525 0.88 PRKCQ (0.53) PRKCQCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3497992 0.88 PRKCQ (0.54) PRKCQCSNK2A2CSNK2A1SYKGRM5
SCHEMBL3496000 0.88 PRKCQ (0.54) PRKCQCSNK2A2CSNK2A1SYKGRM5
SCHEMBL3496712 0.87 PRKCQ (0.51) PRKCQSYKEGFRITK
SCHEMBL3494382 0.86 PRKCQ (0.46) PRKCQCSNK2A2CSNK2A1SYKGRM5
SCHEMBL1742460 0.86 PRKCQ (0.50) PRKCQKITFLT3CHEK1CDK6

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 3/4885CYP1A2 4319/4885CYP2D6 3798/4885

“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.