SCHEMBL3497332

SCHEMBL3497332

COc1cc(Nc2ncc(F)c(NC3CCC(C)(C)N(C)C(C)(C)C3)n2)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.56
SYK P43405 6/20 0.45
AURKA O14965 5/20 0.45
AURKB Q96GD4 5/20 0.45
EGFR P00533 4/20 0.45
KDR P35968 4/20 0.45
ITK Q08881 3/20 0.45
PTK2 Q05397 3/20 0.45
ULK1 O75385 2/20 0.45
ULK2 Q8IYT8 2/20 0.45
PLK4 O00444 2/20 0.45
STK16 O75716 2/20 0.45
RET P07949 2/20 0.45
FLT3 P36888 2/20 0.45
MAPK8 P45983 2/20 0.45
MAPK9 P45984 2/20 0.45
MST1R Q04912 2/20 0.45
TNK1 Q13470 2/20 0.45
IKBKE Q14164 2/20 0.45
MAP3K11 Q16584 2/20 0.45

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
SCHEMBL3494068 0.93 PRKCQ (0.62) PRKCQSYKAURKAAURKBEGFR
SCHEMBL3496256 0.90 PRKCQ (0.55) PRKCQSYKAURKAAURKBEGFR
SCHEMBL3497111 0.86 BCL6 (0.61) PRKCQSYKEGFRITKULK1
SCHEMBL3495479 0.85 PRKCQ (0.53) PRKCQSYKAURKAEGFRIKBKE
SCHEMBL3495533 0.85 ULK1 (0.55) PRKCQAURKAAURKBEGFRITK
SCHEMBL3495055 0.84 PRKCQ (0.50) PRKCQSYKAURKAAURKBEGFR
SCHEMBL3495553 0.84 PRKCQ (0.61) PRKCQSYKAURKAEGFRITK
SCHEMBL3494249 0.84 PRKCQ (0.65) PRKCQSYKAURKAAURKBEGFR
SCHEMBL3494648 0.83 PRKCQ (0.61) PRKCQSYKAURKAAURKBEGFR
SCHEMBL3495644 0.83 BRD4 (0.55) PRKCQAURKAAURKBKDRPTK2

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 460/4885AURKA 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.