SCHEMBL168527

SCHEMBL168527

O=C(O)c1cc2cnccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.58
KDM4E B2RXH2 2/20 0.58
HPGD P15428 2/20 0.58
HSD17B10 Q99714 2/20 0.58
MAPT P10636 1/20 0.58
SRD5A2 P31213 1/20 0.58
HRH4 Q9H3N8 1/20 0.57
SMAD3 P84022 1/20 0.54
CNR2 P34972 1/20 0.53
F7 P08709 1/20 0.53
F3 P13726 1/20 0.53
PIN1 Q13526 1/20 0.53
PDPK1 O15530 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
APEX1 P27695 1/20 0.53
CYP2C19 P33261 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL1895337 0.86 DAO (0.58) DAOKDM4EHPGDHSD17B10MAPT
SCHEMBL29414290 0.86 DAO (0.58) DAOKDM4EHPGDHSD17B10MAPT
SCHEMBL12647210 0.84 HRH4 (0.59) DAOHRH4CNR2NAMPTCYP2C9
SCHEMBL157702 0.84 HRH4 (0.56) DAOHRH4CNR2NAMPTCYP2C9
Hydrochloric Acid SCHEMBL29228902 0.84 DAO (0.56) DAOKDM4EHPGDHSD17B10MAPT
SCHEMBL24112867 0.80 CNR2 (0.59) DAOHRH4CNR2NAMPTCYP2C9
SCHEMBL29263824 0.80 KDM4E (0.62) KDM4EHRH4CNR2ALDH1A1NAMPT
SCHEMBL14666019 0.80 HRH4 (0.56) DAOHRH4CNR2NAMPTCYP2C9
SCHEMBL28610769 0.80 HRH4 (0.56) DAOMAPTHRH4CNR2NAMPT
SCHEMBL1569349 0.80 NAMPT (0.64) DAOHRH4CNR2NAMPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103384668-B compounds and compositions for inhibition of NAMPT 福马TM有限责任公司 2017-05-31 CN claimed
EP-2820017-B1 PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES GENENTECH INC (US) 2016-12-21 EP claimed
US-20160355514-A1 PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES VALO EARLY DISCOVERY, INC. 2016-12-08 US claimed
US-9458172-B2 Pyridinyl and pyrimidinyl sulfoxide and sulfone derivatives VALO HEALTH, INC. 2016-10-04 US claimed
US-20150175621-A1 PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES Valo Health, LLC 2015-06-25 US claimed
CN-104507936-A Pyridinyl and pyrimidinyl sulfoxide and sulfone derivatives FORMA TM LLC 2015-04-08 CN claimed
EP-2731439-A1 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF Merck Sharp & Dohme Corp. (US) 2014-05-21 EP claimed
CN-103384668-A Novel compounds and compositions for inhibiting NAMPT FORMA THERAPEUTICS INC 2013-11-06 CN claimed
WO-2013009582-A1 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2013-01-17 WO claimed
EP-1636224-B1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE PROSIDION LTD (GB) 2010-07-14 EP claimed
CN-100480249-C Pyrrolopyridine-2-carboxylic acid amides as glycogen phosphorylase inhibitors PROSIDION LTD (GB) 2009-04-22 CN claimed
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2009-01-22 US claimed
US-20070244090-A9 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSPHORYLASE BRADLEY STUART E 2007-10-18 US claimed
CN-1826340-A Pyrrolopyridine-2-carboxylic acid amides as glycogen phosphorylase inhibitors PROSIDION LTD (GB) 2006-08-30 CN claimed
US-20050261272-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2005-11-24 US claimed
US-20260116857-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOFS PARDES BIOSCIENCES INC (US) 2026-04-30 US disclosed
US-12336981-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2025-06-24 US disclosed
US-5360799-A Free radical inhibitors ELF SANOFI (FR) 1994-11-01 US disclosed
EP-0507861-A1 DIAROMATIC SUBSTITUTED ANTI-AIDS COMPOUNDS. UPJOHN CO (US) 1992-10-14 EP disclosed
WO-1991009849-A1 DIAROMATIC SUBSTITUTED ANTI-AIDS COMPOUNDS THE UPJOHN COMPANY (US) 1991-07-11 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 (7 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-20260116857-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOFS CTRC, CTRL, CTSL DAO 459/4885KDM4E 2746/4885HPGD 3164/4885
US-12336981-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NNT DAO 1925/4885KDM4E 1401/4885HPGD 188/4885
US-20070244090-A9 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSPHORYLASE PYGL, PYGM, PYGB DAO 768/4885KDM4E 2422/4885HPGD 306/4885
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB DAO 768/4885KDM4E 2422/4885HPGD 306/4885
US-20160355514-A1 PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES TPMT, TYMS, TYMP DAO 2286/4885KDM4E 2902/4885HPGD 381/4885
US-20050261272-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB DAO 768/4885KDM4E 2422/4885HPGD 306/4885
US-20150175621-A1 PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES TPMT, TYMS, TYMP DAO 2286/4885KDM4E 2902/4885HPGD 381/4885

“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.