SCHEMBL3496705

SCHEMBL3496705

CN1C(C)(C)CC(Nc2nc(Nc3ccc(-c4ccncc4C#N)cc3)ncc2F)CC1(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 4/20 0.48
SYK P43405 6/20 0.42
CSNK2A2 P19784 3/20 0.39
CSNK2A1 P68400 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
BTK Q06187 2/20 0.38
EGFR P00533 1/20 0.38
PRKCD Q05655 1/20 0.37
AURKA O14965 4/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GRM5 P41594 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
SCHEMBL3496703 0.90 PRKCQ (0.49) PRKCQSYKCSNK2A2CSNK2A1CYP1A2
SCHEMBL3496604 0.89 PRKCQ (0.52) PRKCQSYKIRAK4BTKEGFR
SCHEMBL3496528 0.88 PRKCQ (0.53) PRKCQSYKCYP1A2CYP2D6CYP2C9
SCHEMBL3496714 0.87 PRKCQ (0.50) PRKCQSYKBTKEGFRAURKA
SCHEMBL3493976 0.86 PRKCQ (0.54) PRKCQSYKCYP1A2CYP2D6CYP2C9
SCHEMBL3494059 0.85 PRKCQ (0.49) PRKCQSYKCSNK2A2CSNK2A1BTK
SCHEMBL3497975 0.84 SYK (0.61) PRKCQSYKCYP1A2CYP2D6CYP2C9
SCHEMBL3497992 0.84 PRKCQ (0.54) PRKCQSYKCSNK2A2CSNK2A1BTK
SCHEMBL3496000 0.84 PRKCQ (0.54) PRKCQSYKCSNK2A2CSNK2A1BTK
SCHEMBL3494382 0.83 PRKCQ (0.46) PRKCQSYKCSNK2A2CSNK2A1IRAK4

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 3/4885SYK 460/4885CSNK2A2 643/4885

“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.