SCHEMBL3497189

SCHEMBL3497189

COCCN1C(=O)COc2cc(Nc3ncc(-c4cccc(C(N)=O)c4)c(NC4CC(C)(C)NC(C)(C)C4)n3)cnc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.39
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
CDK19 Q9BWU1 1/20 0.35
ALK Q9UM73 1/20 0.35
MAP3K7 O43318 5/20 0.34
IRAK4 Q9NWZ3 5/20 0.34
TYRO3 Q06418 4/20 0.34
MERTK Q12866 3/20 0.34
INSR P06213 2/20 0.34
MET P08581 2/20 0.34
NSD2 O96028 1/20 0.34
AXL P30530 2/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33

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
SCHEMBL3495365 0.93 SYK (0.39) SYKGABRG2GABRB3GABRA5CDK19
SCHEMBL3494877 0.91 SYK (0.43) SYKCDK19ALKMAP3K7IRAK4
SCHEMBL3496746 0.90 SYK (0.38) SYKCDK19ALKMAP3K7IRAK4
SCHEMBL3493833 0.84 SYK (0.43) SYKCDK19ALKMAP3K7IRAK4
SCHEMBL3497069 0.83 SYK (0.38) SYKCDK19ALKMAP3K7IRAK4
SCHEMBL3495108 0.83 IRAK4 (0.37) SYKCDK19ALKMAP3K7IRAK4
SCHEMBL3494271 0.81 CYP1A2 (0.42) SYKGABRG2GABRB3GABRA5MAP3K7
SCHEMBL3497184 0.81 SYK (0.45) SYKJAK2JAK1JAK3
SCHEMBL3496133 0.80 CYP1A2 (0.42) SYKMAP3K7IRAK4TYRO3MERTK
SCHEMBL3495507 0.78 CYP1A2 (0.43) SYKMAP3K7IRAK4

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 SYK 460/4885GABRG2 3763/4885GABRB3 3164/4885

“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.