SCHEMBL4271585

SCHEMBL4271585

COC(=O)c1cc2cccnc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.57
HRH3 Q9Y5N1 1/20 0.57
DAO P14920 1/20 0.51
ALOX15 P16050 1/20 0.51
HTT P42858 1/20 0.51
CNR2 P34972 1/20 0.51
ABL1 P00519 9/20 0.50
SRC P12931 8/20 0.50
DRD2 P14416 2/20 0.49
DRD3 P35462 2/20 0.49
RIPK1 Q13546 3/20 0.49
CCNB2 O95067 1/20 0.49
CDK1 P06493 1/20 0.49
CCNB1 P14635 1/20 0.49
CCNB3 Q8WWL7 1/20 0.49
MAP2K1 Q02750 1/20 0.48

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
SCHEMBL31088687 1.00 HRH4 (0.57) HRH4HRH3DAOALOX15HTT
Hydrochloric Acid SCHEMBL1879831 0.98 HRH4 (0.56) HRH4HRH3DAOALOX15HTT
SCHEMBL832252 0.85 KDM4E (0.58) HRH4HRH3DAOALOX15HTT
SCHEMBL296469 0.81 HRH4 (0.57) HRH4HRH3DAOCNR2DRD2
SCHEMBL9986964 0.81 HRH4 (0.51) HRH4HRH3DAOCNR2DRD2
SCHEMBL30229383 0.81 HRH4 (0.51) HRH4HRH3DAOCNR2DRD2
SCHEMBL15848423 0.81 RIPK1 (0.62) HRH4HRH3DAOALOX15CNR2
SCHEMBL30549017 0.80 DAO (0.59) HRH4HRH3DAOALOX15HTT
SCHEMBL24740425 0.80 RIPK1 (0.64) HRH4HRH3DAOALOX15CNR2
SCHEMBL1647417 0.80 RIPK1 (0.60) HRH4HRH3DAOCNR2DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312938-A1 Pyrrolopyridine Carboxylic Acid Derivatives IRONWOOD PHARMACEUTICALS, INC. (US) 2011-12-22 US claimed
WO-2025110815-A1 IMIDAZO [1,2-B] PYRIDAZINE-BASED NOVEL COMPOUND AS CDK INHIBITOR AND USE THEREOF 아이리드비엠에스 주식회사 2025-05-30 WO disclosed
US-20250099462-A1 Certain Triazolopyridines and Triazolopyrazines, Compositions Thereof and Methods of Use Therefor HUTCHISON MEDIPHARMA LTD (CN) 2025-03-27 US disclosed
CN-119325468-A Heterocyclic derivatives, compositions and uses thereof 北京丹擎医药科技有限公司 2025-01-17 CN disclosed
US-20240270757-A1 SPIROCYCLIC COMPOUNDS ASTRAZENECA AB (SE) 2024-08-15 US disclosed
EP-4405343-A1 PYRIDAZINYL AMINO DERIVATIVES AS ALK5 INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2024-07-31 EP disclosed
EP-3863638-B1 PHOSPHODIESTERASE INHIBITORS UNIV NEBRASKA (US) 2024-06-26 EP disclosed
US-20240139182-A1 Certain Triazolopyridines and Triazolopyrazines, Compositions Thereof and Methods of Use Therefor HUTCHISON MEDIPHARMA LTD (CN) 2024-05-02 US disclosed
CN-117916241-A Spiro compounds 阿斯利康(瑞典)有限公司 2024-04-19 CN disclosed
US-11939344-B2 Spirocyclic compounds ASTRAZENECA AB (SE) 2024-03-26 US disclosed
WO-2004101563-A1 AZAINDOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 WO disclosed
EP-1479680-A1 Azaindole derivatives as Factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-11-24 EP disclosed
CN-1535272-A Nitrogen-containing bicyclic heterocycles ʷ 2004-10-06 CN disclosed
US-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-09-02 US disclosed
EP-1399443-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2004-03-24 EP disclosed
US-20040038998-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterical activity SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-26 US disclosed
CN-1452619-A Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity SMITHKLINE BEECHAM PLC (GB) 2003-10-29 CN disclosed
WO-2003087098-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-23 WO disclosed
EP-1305308-A1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2003-05-02 EP disclosed
WO-2002008224-A1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM P.L.C. (GB) 2002-01-31 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-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials NRDC, NUCB2, NDC1 HRH4 90/4885HRH3 190/4885DAO 411/4885
US-20240270757-A1 SPIROCYCLIC COMPOUNDS PKD1, PKD2, CCNI HRH4 4700/4885HRH3 4808/4885DAO 4592/4885
US-11939344-B2 Spirocyclic compounds PKD1, PKD2, NR5A1 HRH4 4779/4885HRH3 4851/4885DAO 4641/4885
US-20110312938-A1 Pyrrolopyridine Carboxylic Acid Derivatives SDHA, ALDH5A1, SDHB HRH4 582/4885HRH3 696/4885DAO 984/4885
US-20040038998-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterical activity AZI2, AMPD2, AMPD1 HRH4 522/4885HRH3 350/4885DAO 93/4885
US-20250099462-A1 Certain Triazolopyridines and Triazolopyrazines, Compositions Thereof and Methods of Use Therefor KCNJ11, NISCH, CYP4Z1 HRH4 1438/4885HRH3 2410/4885DAO 1917/4885
US-20240139182-A1 Certain Triazolopyridines and Triazolopyrazines, Compositions Thereof and Methods of Use Therefor KCNJ11, NISCH, CYP4Z1 HRH4 1438/4885HRH3 2410/4885DAO 1917/4885

“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.