SCHEMBL3494857

SCHEMBL3494857

Cc1cc(C)cc(Nc2ncc(C)c(NC3CC(C)(C)N(C)C(C)(C)C3)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.50
JAK1 P23458 7/20 0.44
AURKA O14965 2/20 0.40
SYK P43405 1/20 0.40
EGFR P00533 2/20 0.40
ITK Q08881 2/20 0.40
KDR P35968 1/20 0.40
AURKB Q96GD4 1/20 0.40
JAK3 P52333 1/20 0.40
BRD4 O60885 3/20 0.39
IGF1R P08069 1/20 0.39
JAK2 O60674 2/20 0.39
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL3497767 0.89 PRKCQ (0.62) PRKCQAURKASYKEGFRITK
SCHEMBL3494481 0.87 PRKCQ (0.63) PRKCQJAK1SYKJAK3BRD4
SCHEMBL3495644 0.85 BRD4 (0.55) PRKCQJAK1AURKAKDRAURKB
SCHEMBL3494248 0.81 BRD4 (0.58) PRKCQSYKBRD4IGF1R
SCHEMBL3493343 0.80 BRD4 (0.48) PRKCQJAK1AURKASYKEGFR
SCHEMBL3496417 0.80 SYK (0.53) JAK1SYKJAK3
SCHEMBL3496651 0.80 BCL6 (0.52) PRKCQBRD4NPC1RAB9A
SCHEMBL3493742 0.79 JAK3 (0.58) JAK1AURKASYKEGFRITK
SCHEMBL3496633 0.79 PRKCQ (0.43) PRKCQJAK1BRD4JAK2
SCHEMBL3493194 0.78 PRKCQ (0.61) PRKCQAURKASYKEGFRITK

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 3/4885JAK1 292/4885AURKA 495/4885

“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.