Sugi Predict

Sugi Predict / Compounds / SCHEMBL3494271

SCHEMBL3494271

SCHEMBL3494271

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 11/20 0.42
▸ ALDH1A1 P00352 9/20 0.42
▸ CASP1 P29466 8/20 0.42
▸ CYP3A4 P08684 8/20 0.42
▸ CASP7 P55210 6/20 0.42
▸ USP2 O75604 6/20 0.42
▸ MEN1 O00255 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ CYP2D6 P10635 3/20 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
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ PRKCQ Q04759 1/20 0.36
▸ CYP2C9 P11712 9/20 0.35
▸ HSD17B10 Q99714 5/20 0.35
▸ CYP2C19 P33261 4/20 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
SCHEMBL3495369 0.91 CYP1A2 (0.42) CYP1A2ALDH1A1CASP1CYP3A4CASP7
SCHEMBL3495247 0.90 CYP1A2 (0.44) CYP1A2ALDH1A1CASP1CYP3A4CASP7
SCHEMBL3495365 0.88 SYK (0.39) MAP3K7IRAK4GABRG2GABRB3GABRA5
SCHEMBL3496133 0.84 CYP1A2 (0.42) CYP1A2ALDH1A1CASP1CYP3A4CASP7
SCHEMBL3495507 0.83 CYP1A2 (0.43) CYP1A2ALDH1A1CASP1CYP3A4CASP7
SCHEMBL3496261 0.82 PRKCQ (0.38) CYP1A2ALDH1A1CASP1CYP3A4CASP7
SCHEMBL3497189 0.81 SYK (0.39) MAP3K7IRAK4GABRG2GABRB3GABRA5
SCHEMBL3494264 0.80 LRRK2 (0.36) CYP1A2ALDH1A1CASP1CYP3A4CASP7
SCHEMBL3493833 0.79 SYK (0.43) MAP3K7IRAK4SYK
SCHEMBL3497069 0.78 SYK (0.38) MAP3K7IRAK4PRKCQSYK

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.