SCHEMBL2929188

SCHEMBL2929188

O=C(O)c1cnc(-c2ccccc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 2/20 0.56
▸ KMO O15229 3/20 0.55
▸ ALDH1A1 P00352 3/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ P4HTM Q9NXG6 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ NAPRT Q6XQN6 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ BAZ2B Q9UIF8 1/20 0.45
▸ P4HA1 P13674 1/20 0.44
▸ MIF P14174 1/20 0.44
▸ CYP4F2 P78329 1/20 0.43
▸ CYP4A11 Q02928 1/20 0.43
▸ MCL1 Q07820 1/20 0.42
▸ HSD17B1 P14061 1/20 0.42
▸ HSD17B2 P37059 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42

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
SCHEMBL2933552 0.89 LDHA (0.53) LDHAKMOALDH1A1HPGDHSD17B10
SCHEMBL5548989 0.85 KDM4E (0.52) LDHAKMOALDH1A1CYP3A4P4HTM
SCHEMBL25260161 0.85 LDHA (0.49) LDHAKMOALDH1A1HPGDALOX15
SCHEMBL5305431 0.85 LDHA (0.49) LDHAKMOALDH1A1HPGDHSD17B10
SCHEMBL27905615 0.83 KMO (0.58) KMOALDH1A1HPGDHSD17B10P4HTM
SCHEMBL3744416 0.83 NPC1 (0.51) KMOALDH1A1P4HTMP4HA1MIF
SCHEMBL25213243 0.80 MEN1 (0.49) LDHAALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL25223880 0.80 CYP3A4 (0.55) LDHAALDH1A1CYP3A4BAZ2BKDM4E
SCHEMBL5703363 0.80 SMN1; SMN2 (0.49) LDHAKMOALDH1A1HPGDHSD17B10
SCHEMBL1304066 0.80 RAB9A (0.52) LDHAALDH1A1HSD17B1HSD17B2

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842696-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-30 — — US claimed
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-03 — — US claimed
WO-2008157844-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-12-24 — — WO claimed
CN-112279837-B Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2022-08-09 — — CN disclosed
CN-111747954-B Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2021-08-24 — — CN disclosed
CN-112279837-A Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2021-01-29 — — CN disclosed
CN-112055709-A Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2020-12-08 — — CN disclosed
CN-111747954-A Pyrazine compounds and uses thereof 迪哲(江苏)医药有限公司 2020-10-09 — — CN disclosed
US-20170114070-A1 INHIBITORS OF THE WNT SIGNALLING PATHWAYS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-27 — — US disclosed
US-20170114070-A1 INHIBITORS OF THE WNT SIGNALLING PATHWAYS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-27 — — US disclosed
US-20170114070-A1 INHIBITORS OF THE WNT SIGNALLING PATHWAYS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-27 — — US disclosed
EP-1608619-A1 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2005-12-28 — — EP disclosed
EP-1608617-A1 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2005-12-28 — — EP disclosed
WO-2005009941-A1 INDANE DERIVATES AS MUSCARINIC RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-02-03 — — WO disclosed
CN-1556788-A Muscarinic agonists — 2004-12-22 — — CN disclosed
US-20040242584-A1 exemplified by Biphenyl-4-carboxylic acid (R)-(6-(1-((4-fluorobenzyl)methylamino)ethylideneamino) 2(R)-hydroxyindan-1-yl)amide; treating cognitive impairment associated with schizophrenia or Alzheimer's disease ELI LILLY AND COMPANY 2004-12-02 — — US disclosed
WO-2004094363-A1 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2004-11-04 — — WO disclosed
WO-2004094382-A1 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2004-11-04 — — WO disclosed
EP-1436249-A2 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2004-07-14 — — EP disclosed
WO-2003027061-A2 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2003-04-03 — — 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 (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-20170114070-A1 INHIBITORS OF THE WNT SIGNALLING PATHWAYS WNT1, WNT3A, CTNNB1 LDHA 4121/4885KMO 2939/4885ALDH1A1 2475/4885
US-20040242584-A1 exemplified by Biphenyl-4-carboxylic acid (R)-(6-(1-((4-fluorobenzyl)methylamino)ethylideneamino) 2(R)-hydroxyindan-1-yl)amide; treating cognitive impairment associated with schizophrenia or Alzheimer's disease CHRM1, CHRM2, CHRM4 LDHA 4219/4885KMO 257/4885ALDH1A1 251/4885
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 LDHA 3763/4885KMO 1446/4885ALDH1A1 969/4885

“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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