SCHEMBL296469

SCHEMBL296469

O=C(O)c1cc2cccnc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.57
HRH3 Q9Y5N1 1/20 0.57
DAO P14920 3/20 0.56
CNR2 P34972 1/20 0.55
HPGD P15428 2/20 0.53
HSD17B10 Q99714 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
SRD5A2 P31213 1/20 0.53
RIPK1 Q13546 11/20 0.50
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
HDAC1 Q13547 1/20 0.44

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
Hydrochloric Acid SCHEMBL1878102 0.98 HRH4 (0.56) HRH4HRH3DAOCNR2HPGD
SCHEMBL28696362 0.84 CNR2 (0.57) HRH4HRH3DAOCNR2RIPK1
SCHEMBL1647417 0.84 RIPK1 (0.60) HRH4HRH3DAOCNR2RIPK1
SCHEMBL29994379 0.84 RIPK1 (0.60) HRH4HRH3DAOCNR2RIPK1
SCHEMBL31088687 0.81 HRH4 (0.57) HRH4HRH3DAOCNR2RIPK1
SCHEMBL4271585 0.81 HRH4 (0.57) HRH4HRH3DAOCNR2RIPK1
SCHEMBL13808700 0.81 KDM4E (0.59) HRH4HRH3DAOCNR2KDM4E
SCHEMBL15848423 0.81 RIPK1 (0.62) HRH4HRH3DAOCNR2RIPK1
SCHEMBL28164655 0.81 NPC1 (0.64) HRH4HRH3CNR2MAPTHDAC1
SCHEMBL18181380 0.80 HRH4 (0.56) HRH4HRH3DAOCNR2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors HIBERCELL, INC. (US) 2024-03-05 US claimed
CN-114054099-B Fe (Fe) 3 O 4 @SiO 2 -2N-CoCl 2 Catalyst, preparation method and application thereof 万华化学集团股份有限公司 2023-07-11 CN claimed
CN-114054099-A Fe3O4@SiO2-2N-CoCl2Catalyst, preparation method and application thereof 万华化学集团股份有限公司 2022-02-18 CN claimed
CN-110016029-A A kind of preparation method of fluoro- 1H- pyrrolo- [2,3-b] pyridine-2-carboxylic acids of 3- 南京合巨药业有限公司 2019-07-16 CN claimed
CN-107759595-A A kind of synthetic method of the azaindole of intermediate 7 苏州艾缇克药物化学有限公司 2018-03-06 CN claimed
US-9428456-B2 1-[m-carboxamido(hetero)aryl-methyl]-heterocyclyl-carboxamide derivatives ACTELION PHARMACEUTICALS LTD (CH) 2016-08-30 US claimed
US-20130345199-A1 1-[M-CARBOXAMIDO(HETERO)ARYL-METHYL]-PIPERIDINE-4-CARBOXAMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2013-12-26 US claimed
CN-102421760-A Dihydropyrimidinones useful as BACE2 inhibitors HOFFMANN LA ROCHE 2012-04-18 CN claimed
US-20110312938-A1 Pyrrolopyridine Carboxylic Acid Derivatives IRONWOOD PHARMACEUTICALS, INC. (US) 2011-12-22 US claimed
EP-2396325-A1 DERIVATIVES OF AZAINDOLES AS INHIBITORS OF PROTEIN KINASES ABL AND SRC OriBase Pharma (FR) 2011-12-21 EP claimed
WO-2010128058-A1 DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO claimed
US-20100286158-A1 DIHYDROPYRIMIDINONES HOFFMANN-LA ROCHE, INC. 2010-11-11 US claimed
WO-2010092489-A1 DERIVATIVES OF AZAINDOLES AS INHIBITORS OF PROTEIN KINASES ABL AND SRC NOVA DECISION (FR) 2010-08-19 WO claimed
EP-1968568-A2 INHIBITORS OF Akt ACTIVITY SmithKline Beecham Corporation (US) 2008-09-17 EP claimed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO claimed
EP-1636226-A1 AZAINDOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-22 EP claimed
WO-2004101563-A1 AZAINDOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 WO claimed
WO-2026107377-A1 PHARMACOLOGICAL RE-ACTIVATION OF MUTANT PVHL KARANICOLAS JOHN (US) 2026-05-21 WO 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 (4 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-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors PIP5K1A, PIP5K1B, PIP5K1C HRH4 1081/4885HRH3 1127/4885DAO 3277/4885
US-20130345199-A1 1-[M-CARBOXAMIDO(HETERO)ARYL-METHYL]-PIPERIDINE-4-CARBOXAMIDE DERIVATIVES CXCR1, CXCR5, CXCR4 HRH4 178/4885HRH3 187/4885DAO 3798/4885
US-20110312938-A1 Pyrrolopyridine Carboxylic Acid Derivatives SDHA, ALDH5A1, SDHB HRH4 582/4885HRH3 696/4885DAO 984/4885
US-20100286158-A1 DIHYDROPYRIMIDINONES BACE2, BACE1, PSEN2 HRH4 1224/4885HRH3 866/4885DAO 1735/4885

“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.