SCHEMBL1149527

SCHEMBL1149527

COc1cc2c(cn1)C(Br)(Br)C(=O)N2c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MARK3 P27448 1/20 0.37
▸ OPRM1 P35372 2/20 0.36
▸ OPRL1 P41146 2/20 0.36
▸ GAA P10253 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ THPO P40225 1/20 0.34
▸ SCN9A Q15858 5/20 0.34
▸ ELANE P08246 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 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
SCHEMBL1150453 0.72 GAA (0.38) MARK3GAAALDH1A1CYP1A2CYP3A4
SCHEMBL1149924 0.71 HPGD (0.51) OPRM1OPRL1GAAALDH1A1CYP1A2
SCHEMBL1150378 0.70 BACE1 (0.38) MARK3CYP3A4CYP2C19SCN9A
SCHEMBL1149935 0.68 HPGD (0.51) OPRM1OPRL1GAAALDH1A1CYP1A2
SCHEMBL1150372 0.65 EGLN1 (0.42) MARK3GAAALDH1A1CYP1A2CYP3A4
SCHEMBL1149635 0.65 EGLN1 (0.43) GAAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL2401166 0.62 ALDH1A1 (0.62) GAAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL7613143 0.61 ALDH1A1 (0.48) GAAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL21523941 0.61 PGR (0.44) MARK3PGR
SCHEMBL9138286 0.60 ALDH1A1 (0.50) GAAALDH1A1CYP1A2CYP3A4CYP2C9

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-8580813-B2 Cyclic azaindole-3-carboxamides, their preparation and their use as pharmaceuticals SANOFI (FR) 2013-11-12 — — US disclosed
EP-2240482-B1 CYCLIC AZAINDOLE-3-CARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2013-07-17 — — EP disclosed
US-20110039861-A1 CYCLIC AZAINDOLE-3-CARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2011-02-17 — — US disclosed
EP-2240482-A1 CYCLIC AZAINDOLE-3-CARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2010-10-20 — — EP disclosed
WO-2009095162-A1 CYCLIC AZAINDOLE-3-CARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2009-08-06 — — 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-20110039861-A1 CYCLIC AZAINDOLE-3-CARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS REN, PM20D2, CDK20 MARK3 1640/4885OPRM1 2064/4885OPRL1 1927/4885

“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.

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