SCHEMBL3495095

SCHEMBL3495095

COCCN1C(=O)C(C)(C)Oc2cc(Nc3nc(NC4CC(C)(C)NC(C)(C)C4)c(F)c(-c4ccccc4)n3)cnc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 15/20 0.38
CASP1 P29466 14/20 0.38
CASP7 P55210 14/20 0.38
USP2 O75604 12/20 0.38
CYP3A4 P08684 10/20 0.38
MEN1 O00255 9/20 0.38
KMT2A Q03164 9/20 0.38
CYP2C9 P11712 8/20 0.38
HIF1A Q16665 6/20 0.38
LMNA P02545 4/20 0.37
SYK P43405 2/20 0.36
PLK4 O00444 1/20 0.36
AURKA O14965 1/20 0.36
STK16 O75716 1/20 0.36
LATS1 O95835 1/20 0.36
RET P07949 1/20 0.36
FLT3 P36888 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MST1R Q04912 1/20 0.36

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
SCHEMBL3495678 0.94 SYK (0.35) CYP1A2CASP1CASP7USP2CYP3A4
SCHEMBL3496419 0.92 PRKCQ (0.38) CYP1A2CASP1CASP7USP2CYP3A4
SCHEMBL3497758 0.86 PRKCQ (0.38) CYP1A2CASP1CASP7USP2CYP3A4
SCHEMBL3495329 0.83 PRKCQ (0.37) CYP1A2CASP1CASP7USP2CYP3A4
SCHEMBL3495507 0.82 CYP1A2 (0.43) CYP1A2CASP1CASP7USP2CYP3A4
SCHEMBL3496746 0.82 SYK (0.38) CYP1A2CASP1CASP7USP2CYP3A4
SCHEMBL3496261 0.81 PRKCQ (0.38) CYP1A2CASP1CASP7USP2CYP3A4
SCHEMBL3495849 0.81 INSR (0.36) CYP1A2CASP1CASP7USP2CYP3A4
SCHEMBL3495091 0.81 FLT3 (0.39) SYKPLK4AURKASTK16LATS1
SCHEMBL3496738 0.79 PRKCQ (0.49) SYKPLK4AURKASTK16LATS1

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 CYP1A2 4319/4885CASP1 3784/4885CASP7 2159/4885

“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.