SCHEMBL3495391

SCHEMBL3495391

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.52
BCL6 P41182 2/20 0.43
SYK P43405 4/20 0.42
CSNK2A2 P19784 3/20 0.42
CSNK2A1 P68400 3/20 0.42
BCDIN3D Q7Z5W3 1/20 0.42
BRD4 O60885 3/20 0.40
GRM5 P41594 1/20 0.39
EGFR P00533 2/20 0.38
ERBB2 P04626 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
BTK Q06187 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
SCHEMBL3497242 0.93 PRKCQ (0.52) PRKCQBCL6SYKCSNK2A2CSNK2A1
SCHEMBL3497992 0.92 PRKCQ (0.54) PRKCQBCL6SYKCSNK2A2CSNK2A1
SCHEMBL3496000 0.92 PRKCQ (0.54) PRKCQBCL6SYKCSNK2A2CSNK2A1
SCHEMBL3495099 0.92 JAK2 (0.45) PRKCQCSNK2A2CSNK2A1BCDIN3DBRD4
SCHEMBL3496812 0.90 PRKCQ (0.55) PRKCQSYKCSNK2A2CSNK2A1GRM5
SCHEMBL3497098 0.89 PRKCQ (0.46) PRKCQBCL6CSNK2A2CSNK2A1GRM5
SCHEMBL3495845 0.89 PRKCQ (0.56) PRKCQBCL6SYKBRD4EGFR
SCHEMBL3495452 0.89 ULK1 (0.49)
SCHEMBL3495489 0.87 PRKCQ (0.50) PRKCQSYKCSNK2A2CSNK2A1BRD4
SCHEMBL3496315 0.87 PRKCQ (0.56) PRKCQBCL6SYKBCDIN3DEGFR

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 3/4885BCL6 3211/4885SYK 460/4885

“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.