SCHEMBL3497977

SCHEMBL3497977

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 3/20 0.47
SYK P43405 8/20 0.44
FLT3 P36888 3/20 0.40
AURKA O14965 3/20 0.40
AURKB Q96GD4 3/20 0.40
PLK4 O00444 2/20 0.40
RET P07949 2/20 0.40
MAPK8 P45983 2/20 0.40
MAPK9 P45984 2/20 0.40
MST1R Q04912 2/20 0.40
IKBKE Q14164 2/20 0.40
STK16 O75716 1/20 0.40
LATS1 O95835 1/20 0.40
PTK2 Q05397 1/20 0.40
TNK1 Q13470 1/20 0.40
MAP3K11 Q16584 1/20 0.40
BRDT Q58F21 1/20 0.40
ADCK1 Q86TW2 1/20 0.40
PIP4K2C Q8TBX8 1/20 0.40
NEK9 Q8TD19 1/20 0.40

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
SCHEMBL3497116 0.94 PRKCQ (0.47) PRKCQSYKFLT3AURKAAURKB
SCHEMBL3496340 0.94 PRKCQ (0.47) PRKCQSYKFLT3AURKAAURKB
SCHEMBL13248969 0.93 PRKCQ (0.47) PRKCQSYKFLT3AURKAAURKB
SCHEMBL3496086 0.92 PRKCQ (0.46) PRKCQSYKFLT3AURKAAURKB
SCHEMBL3497214 0.91 JAK1 (0.40) PRKCQSYKINSRMETLRRK2
SCHEMBL3496080 0.91 PRKCQ (0.45) PRKCQSYKFLT3AURKAAURKB
SCHEMBL3497291 0.91 AURKA (0.38) PRKCQSYKAURKAAURKBINSR
SCHEMBL3496192 0.90 PRKCQ (0.49) PRKCQSYKFLT3AURKAAURKB
SCHEMBL3496277 0.90 ULK1 (0.50) FLT3AURKABMXLRRK2CHEK1
SCHEMBL3497354 0.89 LRRK2 (0.45) PRKCQSYKFLT3AURKAAURKB

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 3/4885SYK 460/4885FLT3 172/4885

“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.