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SCHEMBL3496133

SCHEMBL3496133

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 8/20 0.42
▸ ALDH1A1 P00352 7/20 0.42
▸ CASP1 P29466 5/20 0.42
▸ CASP7 P55210 5/20 0.42
▸ CYP3A4 P08684 5/20 0.42
▸ USP2 O75604 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ MAP3K7 O43318 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ INSR P06213 3/20 0.37
▸ MET P08581 3/20 0.37
▸ SYK P43405 2/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ JAK1 P23458 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ CYP2C9 P11712 6/20 0.35

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
SCHEMBL3495369 0.93 CYP1A2 (0.42) CYP1A2ALDH1A1CASP1CASP7CYP3A4
SCHEMBL3494877 0.88 SYK (0.43) MAP3K7IRAK4INSRMETSYK
SCHEMBL3494271 0.84 CYP1A2 (0.42) CYP1A2ALDH1A1CASP1CASP7CYP3A4
SCHEMBL3495507 0.84 CYP1A2 (0.43) CYP1A2ALDH1A1CASP1CASP7CYP3A4
SCHEMBL3496130 0.82 CSNK2A2 (0.35) CYP1A2ALDH1A1CASP1CASP7CYP3A4
SCHEMBL3493833 0.81 SYK (0.43) MAP3K7IRAK4INSRMETSYK
SCHEMBL3495849 0.81 INSR (0.36) CYP1A2ALDH1A1CASP1CASP7CYP3A4
SCHEMBL3497189 0.80 SYK (0.39) MAP3K7IRAK4INSRMETSYK
SCHEMBL3496532 0.79 SYK (0.41) CLK4SYKJAK3TYRO3
SCHEMBL3495846 0.78 INSR (0.36) INSRMETSYKTYRO3AXL

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 4319/4885ALDH1A1 3843/4885CASP1 3784/4885

“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.