SCHEMBL1149635

SCHEMBL1149635

O=C1N(c2ccccc2)c2cccnc2C1(Br)Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 4/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ THPO P40225 1/20 0.43
▸ GAA P10253 2/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.37
▸ ELANE P08246 1/20 0.37
▸ CES2 O00748 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ADAMTS5 Q9UNA0 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ HPGD P15428 1/20 0.36

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 0.80 GAA (0.38) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1150372 0.75 EGLN1 (0.42) EGLN1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL2583359 0.75 CYP19A1 (0.38) EGLN1ALDH1A1GAAKDM4ENPSR1
SCHEMBL2401166 0.72 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1149632 0.68 ALDH1A1 (0.48) ALDH1A1MAPK1
SCHEMBL1149527 0.65 MARK3 (0.37) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1150266 0.65 HPGD (0.57) EGLN1ALDH1A1CYP1A2CYP3A4GAA
SCHEMBL8290956 0.64 ALDH1A1 (0.67) EGLN1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL1268215 0.63 EGLN1 (0.37) EGLN1KDM4E
Hydrochloric Acid SCHEMBL8300337 0.63 MAPK1 (0.67) EGLN1ALDH1A1CYP1A2CYP3A4CYP2D6

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 EGLN1 3332/4885ALDH1A1 2609/4885CYP1A2 117/4885

“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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