SCHEMBL3494877

SCHEMBL3494877

COCCN1C(=O)COc2cc(Nc3ncc(-c4cccc(C(N)=O)c4)c(NC4CC(C)(C)NC(C)(C)C4)n3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SYK P43405 8/20 0.43
INSR P06213 5/20 0.39
MET P08581 5/20 0.39
CDK19 Q9BWU1 1/20 0.36
ALK Q9UM73 1/20 0.36
TYRO3 Q06418 2/20 0.36
MERTK Q12866 2/20 0.36
MAP3K7 O43318 3/20 0.36
IRAK4 Q9NWZ3 3/20 0.36
FLT3 P36888 1/20 0.34
AXL P30530 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
SCHEMBL3493833 0.93 SYK (0.43) SYKINSRMETCDK19ALK
SCHEMBL3497189 0.91 SYK (0.39) SYKINSRMETCDK19ALK
SCHEMBL3496133 0.88 CYP1A2 (0.42) SYKINSRMETTYRO3MERTK
SCHEMBL3495365 0.84 SYK (0.39) SYKINSRMETCDK19ALK
SCHEMBL3496746 0.84 SYK (0.38) SYKINSRMETCDK19ALK
SCHEMBL3494871 0.82 SYK (0.45) SYK
SCHEMBL3495369 0.81 CYP1A2 (0.42) SYKINSRMETMAP3K7IRAK4
SCHEMBL3495849 0.80 INSR (0.36) SYKINSRMET
SCHEMBL3495846 0.78 INSR (0.36) SYKINSRMETALKTYRO3
SCHEMBL3497069 0.77 SYK (0.38) SYKINSRMETCDK19ALK

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 SYK 460/4885INSR 1712/4885MET 2687/4885

“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.