SCHEMBL3497291

SCHEMBL3497291

CCN1C(=O)C(C)(C)Oc2cc(Nc3ncc(Br)c(NC4CC(C)(C)N(C)C(C)(C)C4)n3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
SYK P43405 3/20 0.38
LRRK2 Q5S007 2/20 0.38
PRKCQ Q04759 1/20 0.37
EGFR P00533 9/20 0.36
ULK1 O75385 1/20 0.35
FGFR1 P11362 1/20 0.35
PGR P06401 1/20 0.35
INSR P06213 1/20 0.35
MET P08581 1/20 0.35
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34

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
SCHEMBL3497214 0.91 JAK1 (0.40) SYKLRRK2PRKCQULK1INSR
SCHEMBL3497977 0.91 PRKCQ (0.47) AURKAAURKBSYKLRRK2PRKCQ
SCHEMBL3497354 0.89 LRRK2 (0.45) AURKAAURKBSYKLRRK2PRKCQ
SCHEMBL3496277 0.88 ULK1 (0.50) AURKALRRK2ULK1JAK3
SCHEMBL3496014 0.88 LRRK2 (0.40) AURKASYKLRRK2PRKCQULK1
SCHEMBL3494607 0.88 SYK (0.36) AURKAAURKBSYKLRRK2PRKCQ
SCHEMBL3495604 0.87 SYK (0.36) AURKAAURKBSYKLRRK2PRKCQ
SCHEMBL3497116 0.85 PRKCQ (0.47) AURKAAURKBSYKLRRK2PRKCQ
SCHEMBL3496340 0.84 PRKCQ (0.47) AURKAAURKBSYKLRRK2PRKCQ
SCHEMBL13248969 0.83 PRKCQ (0.47) AURKAAURKBSYKLRRK2PRKCQ

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 AURKA 495/4885AURKB 367/4885SYK 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.