SCHEMBL3496108

SCHEMBL3496108

COc1ccc(Nc2ncc(F)c(NC3CC(C)(C)N(C)C(C)(C)C3)n2)cc1-n1c(C)ccc1C

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.59
BCL6 P41182 4/20 0.47
ULK1 O75385 1/20 0.45
ULK2 Q8IYT8 1/20 0.45
EGFR P00533 8/20 0.42
ITK Q08881 4/20 0.41
AURKA O14965 2/20 0.41
AURKB Q96GD4 1/20 0.41
ALK Q9UM73 1/20 0.41
BTK Q06187 3/20 0.41
SYK P43405 2/20 0.41
BRD4 O60885 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
SCHEMBL1740922 0.91 PRKCQ (0.53) PRKCQBCL6ULK1ULK2EGFR
SCHEMBL1740794 0.91 PRKCQ (0.57) PRKCQBCL6ULK1ULK2EGFR
SCHEMBL1742552 0.91 PRKCQ (0.53) PRKCQBCL6ULK1ULK2EGFR
SCHEMBL1741132 0.91 PRKCQ (0.53) PRKCQBCL6ULK1ULK2EGFR
SCHEMBL1740931 0.90 PRKCQ (0.47) PRKCQBCL6ULK1ULK2EGFR
SCHEMBL3494648 0.89 PRKCQ (0.61) PRKCQBCL6ULK1ULK2EGFR
SCHEMBL3495061 0.89 PRKCQ (0.61) PRKCQBCL6ULK1ULK2EGFR
SCHEMBL3494325 0.87 PKMYT1 (0.48) PRKCQULK1ULK2BRD4
SCHEMBL3496318 0.87 PRKCQ (0.49) PRKCQBCL6EGFRITKALK
SCHEMBL3495051 0.86 BCL6 (0.63) PRKCQBCL6ULK1ULK2SYK

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 3/4885BCL6 3211/4885ULK1 832/4885

“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.