SCHEMBL3497975

SCHEMBL3497975

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

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 8/20 0.61
PRKCQ Q04759 2/20 0.54
GRM5 P41594 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
AURKA O14965 3/20 0.43
EGFR P00533 3/20 0.43
BTK Q06187 2/20 0.43
MAOB P27338 1/20 0.41
JAK1 P23458 3/20 0.41
JAK2 O60674 2/20 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
SCHEMBL3496522 0.88 SYK (0.64) SYKPRKCQGRM5AURKAEGFR
SCHEMBL3496244 0.88 PRKCQ (0.50) SYKPRKCQAURKAEGFRBTK
SCHEMBL3497992 0.87 PRKCQ (0.54) SYKPRKCQGRM5AURKAEGFR
SCHEMBL3496000 0.87 PRKCQ (0.54) SYKPRKCQGRM5AURKAEGFR
SCHEMBL3493781 0.86 PRKCQ (0.56) SYKPRKCQAURKAEGFRBTK
SCHEMBL3497350 0.86 AURKA (0.58) SYKPRKCQAURKAEGFRBTK
SCHEMBL3496812 0.85 PRKCQ (0.55) SYKPRKCQGRM5AURKAEGFR
SCHEMBL3497242 0.85 PRKCQ (0.52) SYKPRKCQGRM5EGFRBTK
SCHEMBL3495391 0.85 PRKCQ (0.52) SYKPRKCQGRM5EGFRBTK
SCHEMBL3496705 0.84 PRKCQ (0.48) SYKPRKCQGRM5CYP1A2CYP2D6

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 SYK 460/4885PRKCQ 3/4885GRM5 2828/4885

“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.