SCHEMBL3496403

SCHEMBL3496403

COc1ccc(Nc2ncc(F)c(NC3CC(C)(C)N(C=CC(=O)O)C(C)(C)C3)n2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.51
ITK Q08881 4/20 0.51
ULK1 O75385 1/20 0.49
ULK2 Q8IYT8 1/20 0.49
BTK Q06187 6/20 0.48
PRKCQ Q04759 1/20 0.47
MAPK8 P45983 1/20 0.46
MAPK9 P45984 1/20 0.46
ALK Q9UM73 1/20 0.45
JAK3 P52333 2/20 0.45
SYK P43405 1/20 0.44
KIT P10721 1/20 0.44
FLT3 P36888 1/20 0.44
BCL6 P41182 2/20 0.44

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
SCHEMBL3496399 1.00 EGFR (0.51) EGFRITKULK1ULK2BTK
SCHEMBL3495010 0.93 BCL6 (0.53) EGFRITKBTKPRKCQSYK
SCHEMBL3495014 0.93 BCL6 (0.53) EGFRITKBTKPRKCQSYK
SCHEMBL3496280 0.91 ULK1 (0.50) EGFRITKULK1ULK2BTK
SCHEMBL3496278 0.91 ULK1 (0.50) EGFRITKULK1ULK2BTK
SCHEMBL3496360 0.87 PRKCQ (0.57) EGFRITKBTKPRKCQSYK
SCHEMBL3496369 0.87 PRKCQ (0.57) EGFRITKBTKPRKCQSYK
SCHEMBL3495573 0.86 EGFR (0.50) EGFRITKULK1ULK2BTK
SCHEMBL3494648 0.85 PRKCQ (0.61) EGFRITKULK1ULK2BTK
SCHEMBL3640090 0.84 EGFR (0.49) EGFRITKULK1ULK2BTK

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 EGFR 1181/4885ITK 1065/4885ULK1 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.