SCHEMBL1150372

SCHEMBL1150372

O=C1N(c2ccccc2)c2ncccc2C1(Br)Br

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ THPO P40225 1/20 0.40
▸ MARK3 P27448 1/20 0.39
▸ PGR P06401 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ ELANE P08246 2/20 0.37
▸ MGLL Q99685 1/20 0.35
▸ KAT2B Q92831 1/20 0.35
▸ LDHA P00338 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ADAMTS5 Q9UNA0 1/20 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
SCHEMBL2342685 0.87 ELANE (0.48) EGLN1GAAALDH1A1CYP3A4MARK3
SCHEMBL9469392 0.81 PGR (0.56) EGLN1GAAALDH1A1CYP1A2CYP3A4
SCHEMBL9469489 0.79 EGLN1 (0.43) EGLN1GAAALDH1A1CYP1A2CYP3A4
SCHEMBL9839213 0.78 ELANE (0.59) EGLN1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9469840 0.77 EGLN1 (0.42) EGLN1GAAALDH1A1CYP1A2CYP3A4
SCHEMBL8687319 0.76 LMNA (0.35) GAAALDH1A1KDM4E
SCHEMBL1149635 0.75 EGLN1 (0.43) EGLN1GAAALDH1A1CYP1A2CYP3A4
SCHEMBL2590024 0.75 CYP19A1 (0.38) GAAALDH1A1MARK3MGLLKAT2B
SCHEMBL9211380 0.75 ALDH1A1 (0.70) EGLN1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9469343 0.75 EGLN1 (0.41) EGLN1GAAALDH1A1CYP1A2CYP3A4

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 11 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-8008491-B2 poly(adenosine 5'-diphosphate ribose) polymerase inhibitors such as 1-phenyl-2-(piperazin-1-yl)-1,3-dihydropyrrolo[2,3-b]pyridine-3-carboxaldehyde, used in the treatment and/or prevention central nervous system and cardiovascular disorders AVENTIS PHARMACEUTICALS, INC. (US) 2011-08-30 — — US 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
US-20080255350-A1 SUBSTITUTED AZA-INDOLES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2008-10-16 — — US disclosed
US-7405300-B2 Substituted indoles as inhibitors of poly (ADP-ribose) polymerase (PARP) AVENTIS PHARMAVEUTICALS INC. (US) 2008-07-29 — — US disclosed
EP-1663202-A1 SUBSTITUTED INDOLES AS INHIBITORS OF POLY (ADP-RIBOSE) POLYMERASE (PARP) Aventis Pharmaceuticals, Inc. (US) 2006-06-07 — — EP disclosed
WO-2005023246-A1 SUBSTITUTED INDOLES AS INHIBITORS OF POLY (ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-03-17 — — WO disclosed
US-20050054631-A1 Substituted indoles as inhibitors of poly (ADP-ribose) polymerase (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-03-10 — — US 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 (3 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-20050054631-A1 Substituted indoles as inhibitors of poly (ADP-ribose) polymerase (PARP) PARP1, PARP11, PARP3 EGLN1 503/4885GAA 2614/4885ALDH1A1 449/4885
US-20080255350-A1 SUBSTITUTED AZA-INDOLES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP11, PARP15 EGLN1 694/4885GAA 1923/4885ALDH1A1 304/4885
US-20110039861-A1 CYCLIC AZAINDOLE-3-CARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS REN, PM20D2, CDK20 EGLN1 3332/4885GAA 1820/4885ALDH1A1 2609/4885

“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.

Send feedback