SCHEMBL2965097

SCHEMBL2965097

Cc1cc(C#N)ccc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.46
PARP10 Q53GL7 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
FASN P49327 2/20 0.44
CASP1 P29466 1/20 0.44
LRRK2 Q5S007 1/20 0.44
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
PARP1 P09874 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
NSD2 O96028 1/20 0.40
KDR P35968 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
MTOR P42345 1/20 0.40
GSK3B P49841 1/20 0.40
PRKDC P78527 1/20 0.40
KCNH2 Q12809 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL29360911 1.00 PARP15 (0.46) PARP15PARP10PARP2FASNCASP1
SCHEMBL14136790 0.85 CASP1 (0.44) PARP15PARP10PARP2FASNCASP1
SCHEMBL3361866 0.83 LRRK2 (0.48) LRRK2CA1CA2GSK3BMRGPRX4
SCHEMBL289026 0.83 XDH (0.49) LRRK2CA1CA2MRGPRX4
SCHEMBL289547 0.81 LRRK2 (0.44) LRRK2CA1CA2KDRGSK3B
SCHEMBL5045602 0.79 XDH (0.49) PARP15PARP10PARP2CASP1MKNK1
SCHEMBL289565 0.79 LRRK2 (0.45) CASP1LRRK2CA1CA2ATM
SCHEMBL20787533 0.79 LRRK2 (0.51) FASNLRRK2KDRALDH1A1
SCHEMBL30641945 0.79 LRRK2 (0.51) FASNLRRK2KDRALDH1A1
SCHEMBL13270694 0.79 LRRK2 (0.42) LRRK2CA1CA2GSK3BMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240225002-A1 FUNGICIDAL COMPOSITION CONTAINING OXADIAZOLE COMPOUNDS PI INDUSTRIES LTD. (IN) 2024-07-11 US claimed
CN-116076518-A Pyrimidinium compounds and mixtures thereof for combating animal pests 巴斯夫欧洲公司 2023-05-09 CN claimed
US-7759390-B2 chemokine receptor 9(CCR9) antagonists such as, 5-Chloro-thiophene-2-sulfonic acid (4-cyano-2-methyl-phenyl)-amide, used for treating autimmune and inflammatory diseases, transplantat rejection and cancer NOVARTIS AG (CH) 2010-07-20 US claimed
US-20080300295-A1 Inhibitors of Ccr9 Activity NOVARTIS AG (CH) 2008-12-04 US claimed
EP-1966182-A1 INHIBITORS OF CCR9 ACTIVITY Novartis AG (CH) 2008-09-10 EP claimed
WO-2007071440-A1 INHIBITORS OF CCR9 ACTIVITY NOVARTIS AG (CH) 2007-06-28 WO claimed
EP-4739690-A1 SUBSTITUTED QUINOLYL/QUINOXALYL DIHYDROPYRROLOTRIAZINE COMPOUNDS FOR COMBATTING PHYTO-PATHOGENIC FUNGI BASF SE (DE) 2026-05-13 EP disclosed
EP-4739691-A1 SUBSTITUTED PYRIDYL/PYRAZINYL DIHYDROPYRROLOTRIAZINE COMPOUNDS FOR COMBATTING PHYTOPATH-OGENIC FUNGI BASF SE (DE) 2026-05-13 EP disclosed
EP-4702006-A1 USE OF STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI CONTAINING AN AMINO ACID SUBSTITUTION F129L IN THE MITOCHONDRIAL CYTOCHROME B PROTEIN CONFERRING RESISTANCE TO QO INHIBITORS XVI BASF SE (DE) 2026-03-04 EP disclosed
EP-4680605-A1 SUBSTITUTED PYRIDYL/PYRAZIDYL DIHYDROBENZOTHIAZEPINE COMPOUNDS FOR COMBATTING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2026-01-21 EP disclosed
WO-2025242699-A1 METHOD FOR IMPROVING RAINFASTNESS OF AN AGROCHEMICAL ACTIVE INGREDIENT BASF SE (DE) 2025-11-27 WO disclosed
EP-4648851-A1 SUBSTITUTED (HETERO)ANILINES AND THEIR USE Astrazeneca AB (SE) 2025-11-19 EP disclosed
EP-4619393-A1 SUBSTITUTED BENZODIAZEPINES AS FUNGICIDES BASF SE (DE) 2025-09-24 EP disclosed
US-7759390-B2 chemokine receptor 9(CCR9) antagonists such as, 5-Chloro-thiophene-2-sulfonic acid (4-cyano-2-methyl-phenyl)-amide, used for treating autimmune and inflammatory diseases, transplantat rejection and cancer NOVARTIS AG (CH) 2010-07-20 US disclosed
US-20100010093-A1 ANTIPARASITIC AGENTS PFIZER LIMITED (GB) 2010-01-14 US disclosed
US-7608604-B2 Antiparasitic agents PFIZER LIMITED (GB) 2009-10-27 US disclosed
US-20080300295-A1 Inhibitors of Ccr9 Activity NOVARTIS AG (CH) 2008-12-04 US disclosed
EP-1966182-A1 INHIBITORS OF CCR9 ACTIVITY Novartis AG (CH) 2008-09-10 EP disclosed
US-20080194694-A1 nematocides such as N-{1-cyano-2-[5-cyano-2-(trifluoromethyl)phenoxy]-1-methylethyl}-4-pentafluorothiobenzamide, tautomers or prodrugs, carriers and optionally a second therapeutic agent, used for treating parasitic infestations PFIZER LIMITED (UK) 2008-08-14 US disclosed
WO-2007071440-A1 INHIBITORS OF CCR9 ACTIVITY NOVARTIS AG (CH) 2007-06-28 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-20080194694-A1 nematocides such as N-{1-cyano-2-[5-cyano-2-(trifluoromethyl)phenoxy]-1-methylethyl}-4-pentafluorothiobenzamide, tautomers or prodrugs, carriers and optionally a second therapeutic agent, used for treating parasitic infestations HRH4, HRH3, HRH2 PARP15 4051/4885PARP10 4716/4885PARP2 3717/4885
US-20080300295-A1 Inhibitors of Ccr9 Activity CCR9, CCR1, CCR4 PARP15 1774/4885PARP10 2399/4885PARP2 2679/4885
US-20100010093-A1 ANTIPARASITIC AGENTS HRH3, CYTH3, HRH4 PARP15 1430/4885PARP10 2215/4885PARP2 1324/4885
US-20240225002-A1 FUNGICIDAL COMPOSITION CONTAINING OXADIAZOLE COMPOUNDS OXA1L, NOX1, NOX3 PARP15 4779/4885PARP10 4849/4885PARP2 4871/4885

“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.