SCHEMBL200244

SCHEMBL200244

CC(=O)Cc1cccc(C#N)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.52
ERCC4 Q92889 1/20 0.52
GLA P06280 1/20 0.51
LMNA P02545 1/20 0.51
MEP1A Q16819 1/20 0.50
MEP1B Q16820 1/20 0.50
MAPK8 P45983 1/20 0.49
GSK3B P49841 2/20 0.47
FFAR1 O14842 2/20 0.47
IDH1 O75874 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
FOLH1 Q04609 1/20 0.47
VNN1 O95497 2/20 0.45
GLS O94925 1/20 0.44
CNR1 P21554 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
SCHEMBL30860058 1.00 ERCC1 (0.52) ERCC1ERCC4GLALMNAMEP1A
SCHEMBL6617065 0.85 GLA (0.54) ERCC1ERCC4GLALMNAMEP1A
SCHEMBL15961772 0.85 ERCC1 (0.55) ERCC1ERCC4GLALMNAMEP1A
SCHEMBL6738706 0.85 ERCC1 (0.44) ERCC1ERCC4GLALMNAMEP1A
SCHEMBL335418 0.84 LMNA (0.56) ERCC1ERCC4GLALMNAMEP1A
SCHEMBL28054528 0.84 CYP1A2 (0.38) ERCC1ERCC4GLALMNAMAPK8
SCHEMBL28138901 0.83 ERCC1 (0.50) ERCC1ERCC4GLALMNAMEP1A
SCHEMBL6364918 0.83 FFAR1 (0.55) ERCC1ERCC4GLALMNAMEP1A
SCHEMBL19369942 0.82 FFAR1 (0.44) ERCC1ERCC4LMNAFFAR1
SCHEMBL30489963 0.82 MAPK8 (0.56) ERCC1ERCC4GLALMNAMEP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260109686-A1 PYRIDAZIN-3(2H)-ONE AND PYRIDIN-2(1H)-ONE PARP INHIBITOR COMPOUNDS AZKARRA THERAPEUTICS, INC. (US) 2026-04-23 US disclosed
EP-4594314-A1 PYRIDAZIN-3(2H)-ONE AND PYRIDIN-2(1H)-ONE PARP INHIBITOR COMPOUNDS Azkarra Therapeutics, Inc. (US) 2025-08-06 EP disclosed
WO-2024073133-A1 PYRIDAZIN-3(2H)-ONE AND PYRIDIN-2(1H)-ONE PARP INHIBITOR COMPOUNDS AZKARRA THERAPEUTICS, INC. (US) 2024-04-04 WO disclosed
EP-3466953-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2021-02-03 EP disclosed
CN-105793262-B Two cycloalkyne derivatives and application thereof 新加坡科技研究局 2019-09-03 CN disclosed
WO-2019111225-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF NON‑ALCOHOLIC STEATOHEPATITIS AVALIV THERAPEUTICS (US) 2019-06-13 WO disclosed
US-9745280-B2 Compound or pharmaceutically acceptable salt thereof, and pharmaceutical composition containing same as active ingredient SNU R&DB FOUNDATION (KR) 2017-08-29 US disclosed
US-20160340331-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SNU R&DB FOUNDATION (KR) 2016-11-24 US disclosed
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators MERCK & CO., INC. (US) 2012-05-31 US disclosed
US-8088926-B2 Substituted 2-methyl-2-phenoxy-N-propyl-propionamides as cannabinoid receptor antagonists/inverse agonists useful for treating obesity JENRIN DISCOVERY, INC. (US) 2012-01-03 US disclosed
EP-1490043-A2 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-12-29 EP disclosed
WO-2004048317-A1 SUBSTITUTED AMIDES ACTIVE AT THE CANNABINOID-1 RECEPTOR MERCK & CO., INC. (US) 2004-06-10 WO disclosed
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis MERCK SHARP & DOHME LLC 2004-03-25 US disclosed
WO-2003086288-A2 BICYCLIC AMIDES MERCK & CO., INC. (US) 2003-10-23 WO disclosed
WO-2003087037-A1 SUBSTITUTED ARYL AMIDES MERCK & CO., INC. (US) 2003-10-23 WO disclosed
WO-2003082190-A2 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-10-09 WO disclosed
WO-2003077847-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2003-09-25 WO disclosed
US-6333336-B1 GAMMA-AMINOBUTYRIC ACID RECEPTORS AS ANTICONVULSANTS FORMING THE COMPOUND BY AMIDATION MERCK SHARP & DOHME LTD. (GB) 2001-12-25 US disclosed
EP-1064283-A1 PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2001-01-03 EP disclosed
WO-1999048892-A1 PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1999-09-30 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-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis CNR1, CNR2, MAG ERCC1 2179/4885ERCC4 4147/4885GLA 952/4885
US-20260109686-A1 PYRIDAZIN-3(2H)-ONE AND PYRIDIN-2(1H)-ONE PARP INHIBITOR COMPOUNDS PARP2, PARP1, PARP11 ERCC1 106/4885ERCC4 130/4885GLA 3975/4885
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators CNR1, CNR2, FAAH ERCC1 2310/4885ERCC4 4041/4885GLA 1297/4885
US-20160340331-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT HSP90AB1, HSP90AA1, HSP90AB2P ERCC1 4104/4885ERCC4 4428/4885GLA 3801/4885

“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.