SCHEMBL3494588

SCHEMBL3494588

COc1ccc(Nc2ncc(F)c(N(Cc3ccccc3)C3CC(C)(C)N(C)C(C)(C)C3)n2)cc1OC(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.37
ITK Q08881 1/20 0.37
PRKCQ Q04759 2/20 0.36
ULK1 O75385 1/20 0.36
ULK2 Q8IYT8 1/20 0.36
PAK1 Q13153 1/20 0.36
KDR P35968 1/20 0.36
JAK3 P52333 1/20 0.36
BTK Q06187 1/20 0.36
CDK2 P24941 2/20 0.35
CDK9 P50750 2/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
PLK1 P53350 2/20 0.34
GRM4 Q14833 1/20 0.34
SYK P43405 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL3494853 0.96 PLK1 (0.36) EGFRITKPRKCQULK1ULK2
SCHEMBL3495070 0.93 PRKCQ (0.36) EGFRITKPRKCQULK1ULK2
SCHEMBL3495654 0.89 IGF1R (0.34) EGFRITKPRKCQULK1ULK2
SCHEMBL3497178 0.84 PRKCQ (0.48) EGFRPRKCQBTKSYKUSP2
SCHEMBL3495296 0.81 SYK (0.46) EGFRULK1BTKSYKFLT3
SCHEMBL3495963 0.80 PRKCQ (0.46) EGFRPRKCQKDRBTKSYK
SCHEMBL3495843 0.79 PAK1 (0.43) PRKCQPAK1KDRSYK
SCHEMBL1741121 0.78 PRKCQ (0.57) EGFRITKPRKCQULK1ULK2
SCHEMBL3494218 0.78 PRKCQ (0.46) EGFRPRKCQBTKSYKUSP2
SCHEMBL3496057 0.77 CDK4 (0.51) PAK1CDK2CDK4

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 1065/4885PRKCQ 3/4885

“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.