SCHEMBL3497336

SCHEMBL3497336

COc1cc(Nc2ncc(F)c(NC3CC(C)(C)N(CCC(=O)O)C(C)(C)C3)n2)cc(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 4/20 0.58
EGFR P00533 9/20 0.48
ITK Q08881 3/20 0.48
BTK Q06187 4/20 0.47
SYK P43405 4/20 0.44
AURKA O14965 3/20 0.41
AURKB Q96GD4 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41

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
SCHEMBL3496801 0.93 PRKCQ (0.58) PRKCQEGFRITKBTKSYK
SCHEMBL3495646 0.88 PRKCQ (0.46) PRKCQEGFRITKBTKSYK
SCHEMBL3640090 0.87 EGFR (0.49) PRKCQEGFRITKBTKSYK
SCHEMBL3496082 0.85 BCL6 (0.55) PRKCQEGFRITKSYK
SCHEMBL3492920 0.85 PRKCQ (0.75) PRKCQEGFRITKBTKSYK
SCHEMBL3495585 0.84 PRKCQ (0.57) PRKCQEGFRITKBTKSYK
SCHEMBL3496360 0.83 PRKCQ (0.57) PRKCQEGFRITKBTKSYK
SCHEMBL3496369 0.83 PRKCQ (0.57) PRKCQEGFRITKBTKSYK
SCHEMBL3495136 0.83 PRKCQ (0.48) PRKCQEGFRITKBTKSYK
SCHEMBL3494938 0.82 PRKCQ (0.57) PRKCQEGFRITKBTKSYK

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 3/4885EGFR 1181/4885ITK 1065/4885

“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.