SCHEMBL3495573

SCHEMBL3495573

C=C(C(=O)O)N1C(C)(C)CC(Nc2nc(Nc3ccc(OC)c(OC)c3)ncc2F)CC1(C)C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.50
ITK Q08881 4/20 0.50
ULK1 O75385 1/20 0.50
ULK2 Q8IYT8 1/20 0.50
PRKCQ Q04759 1/20 0.48
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47
BTK Q06187 4/20 0.46
ALK Q9UM73 1/20 0.46
SYK P43405 1/20 0.45
KIT P10721 1/20 0.44
FLT3 P36888 1/20 0.44
BCL6 P41182 2/20 0.44
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
AXL P30530 1/20 0.43
TYRO3 Q06418 1/20 0.43
MERTK Q12866 1/20 0.43

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
SCHEMBL3495681 0.91 ULK1 (0.51) EGFRITKULK1ULK2PRKCQ
SCHEMBL3495585 0.87 PRKCQ (0.57) EGFRITKPRKCQBTKALK
SCHEMBL3496399 0.86 EGFR (0.51) EGFRITKULK1ULK2PRKCQ
SCHEMBL3496403 0.86 EGFR (0.51) EGFRITKULK1ULK2PRKCQ
SCHEMBL3494648 0.86 PRKCQ (0.61) EGFRITKULK1ULK2PRKCQ
SCHEMBL3640090 0.85 EGFR (0.49) EGFRITKULK1ULK2PRKCQ
SCHEMBL3496124 0.85 EGFR (0.50) EGFRITKULK1ULK2PRKCQ
SCHEMBL3497110 0.83 EGFR (0.49) EGFRITKULK1ULK2PRKCQ
SCHEMBL3497366 0.83 PRKCQ (0.45) EGFRITKPRKCQBTKSYK
SCHEMBL3495275 0.83 BCL6 (0.56) EGFRPRKCQALKSYKBCL6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.