SCHEMBL3497178

SCHEMBL3497178

COc1cc(Nc2ncc(F)c(N(Cc3ccccc3)C3CC(C)(C)N(C)C(C)(C)C3)n2)cc(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 3/20 0.48
SYK P43405 3/20 0.41
USP2 O75604 5/20 0.41
CYP1A2 P05177 5/20 0.41
CYP2C9 P11712 4/20 0.41
CYP3A4 P08684 4/20 0.41
CASP1 P29466 4/20 0.41
CASP7 P55210 4/20 0.41
LMNA P02545 3/20 0.41
HSD17B10 Q99714 3/20 0.41
CLK4 Q9HAZ1 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
EGFR P00533 2/20 0.40
BTK Q06187 1/20 0.40
MAPT P10636 1/20 0.40
CNR2 P34972 1/20 0.40
TP53 P04637 2/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL3495963 0.95 PRKCQ (0.46) PRKCQSYKUSP2CYP1A2CYP2C9
SCHEMBL3494218 0.93 PRKCQ (0.46) PRKCQSYKUSP2CYP1A2CYP2C9
SCHEMBL3497619 0.88 PRKCQ (0.41) PRKCQSYKUSP2CYP1A2CYP2C9
SCHEMBL3493949 0.87 PRKCQ (0.44) PRKCQSYKUSP2CYP1A2CYP2C9
SCHEMBL3494588 0.84 EGFR (0.37) PRKCQSYKUSP2CYP1A2CYP2C9
SCHEMBL3495296 0.83 SYK (0.46) SYKEGFRBTKMAPT
SCHEMBL3494888 0.82 PRKCQ (0.42) PRKCQSYKLMNAMAPTTP53
SCHEMBL3495843 0.81 PAK1 (0.43) PRKCQSYK
SCHEMBL3494853 0.80 PLK1 (0.36) PRKCQEGFRBTK
SCHEMBL3496057 0.79 CDK4 (0.51) AURKA

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 5 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
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 3/4885SYK 460/4885USP2 4763/4885

“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.