SCHEMBL1150422

SCHEMBL1150422

O=C1Cc2cccnc2N1c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.57
GAA P10253 7/20 0.54
TLR9 Q9NR96 2/20 0.54
PKM P14618 1/20 0.54
ALDH1A1 P00352 6/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CASP6 P55212 2/20 0.40
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
MGLL Q99685 1/20 0.37
MAPT P10636 2/20 0.37
CHRM2 P08172 1/20 0.37

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
SCHEMBL9980850 0.89 MEN1 (0.50) HPGDGAATLR9PKMALDH1A1
SCHEMBL2345043 0.86 MAPT (0.48) HPGDGAATLR9PKMALDH1A1
SCHEMBL9209276 0.86 MEN1 (0.46) HPGDGAATLR9PKMALDH1A1
SCHEMBL1699137 0.86 HPGD (0.41) HPGDGAATLR9PKMALDH1A1
SCHEMBL1699127 0.83 NPC1 (0.50) HPGDGAAPKMMEN1KMT2A
SCHEMBL9479623 0.82 KMT2A (0.50) HPGDGAAPKMALDH1A1MEN1
SCHEMBL9981134 0.81 MGLL (0.42) HPGDGAATLR9PKMMEN1
SCHEMBL7691479 0.81 SCN2A (0.46) HPGDGAAPKMALDH1A1MEN1
SCHEMBL15217706 0.81 GAA (0.47) HPGDGAATLR9PKMALDH1A1
SCHEMBL7657137 0.80 HPGD (0.36) HPGDGAATLR9PKMMEN1

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 19 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
US-7105529-B2 Substituted oxindole derivatives as protein tyrosine and as protein serine/threonine kinase inhibitors and compositions and methods of treating chemotherapy and radiation therapy side effects SMITHKLINE BEECHAM CORPORATION (US) 2006-09-12 US disclosed
US-20050054631-A1 Substituted indoles as inhibitors of poly (ADP-ribose) polymerase (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-03-10 US disclosed
US-6498176-B1 INHIBITING TUMOR GROWTH VIA INHIBITION OF TUMOR-RELATED ANGIOGENESIS SMITHKLINEBEECHAM CORPORATION 2002-12-24 US disclosed
US-6369086-B1 Substituted oxidole derivatives as protein tyrosine and as protein serine/threonine kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2002-04-09 US disclosed
US-6350747-B1 PROTEIN SERINE/THREONINE KINASE AND PROTEIN TYROSINE KINASE ENZYME INHIBITORS; ANGIOGENESIS INHIBITORS; ANTITUMOR AND ANTIPROLIFERATIVE AGENTS GLAXO WELLCOME INC. 2002-02-26 US disclosed
EP-0660833-A1 3,3'-DISUBSTITUTED-1,3-DIHYDRO-2H-PYRROLO 2,3-b]HETEROCYCLIC-2-ONE USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS OF MAN THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-07-05 EP disclosed
CN-1094406-A Be used for the treatment of 3,3 of human body cognitive disorders '-dibasic-1,3-dihydro-2 h-pyrrole [2,3-b] heterocycle-2-ketone DU PONT MERCK PHARMA (US) 1994-11-02 CN disclosed
WO-1994006793-A1 3,3'-DISUBSTITUTED-1,3-DIHYDRO-2H-PYRROLO[2,3-b]HETEROCYCLIC-2-ONE USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS OF MAN THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-03-31 WO disclosed
US-5278162-A Learning enhancement THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-01-11 US disclosed
WO-1991018902-A1 SUBSTITUTED 1-H-PYRROLO[2,3-b]PYRIDINE-3-CARBOXAMIDES SCHERING CORPORATION (US) 1991-12-12 WO disclosed
US-5023265-A Antiinflammatory agent; inhibits both 5-lipoxygenase and cyclooxygenase; rheumatoid arthritis, bursitis, tendonitis, gout; side effect reduction SCHERING CORPORATION (US) 1991-06-11 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 HPGD 490/4885GAA 2614/4885TLR9 1792/4885
US-20080255350-A1 SUBSTITUTED AZA-INDOLES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP11, PARP15 HPGD 549/4885GAA 1923/4885TLR9 1559/4885
US-20110039861-A1 CYCLIC AZAINDOLE-3-CARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS REN, PM20D2, CDK20 HPGD 1256/4885GAA 1820/4885TLR9 3519/4885

“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.