SCHEMBL9820043

SCHEMBL9820043

Cc1cc(C)c(C#N)c(=S)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 1/20 1.00
ALDH1A1 P00352 12/20 0.57
HPGD P15428 8/20 0.57
APOBEC3G Q9HC16 6/20 0.57
HSD17B10 Q99714 6/20 0.57
GAA P10253 5/20 0.57
ALOX15 P16050 5/20 0.57
KDM4E B2RXH2 10/20 0.51
MAPT P10636 6/20 0.51
TP53 P04637 2/20 0.51
RXFP1 Q9HBX9 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
UPP1 Q16831 1/20 0.43
RECQL P46063 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GLA P06280 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL5233820 0.77 HAVCR2 (0.62) HAVCR2ALDH1A1HPGDAPOBEC3GHSD17B10
SCHEMBL19212170 0.76 HAVCR2 (0.61) HAVCR2ALDH1A1HPGDAPOBEC3GHSD17B10
SCHEMBL4888217 0.76 ALDH1A1 (0.66) HAVCR2ALDH1A1HPGDAPOBEC3GHSD17B10
SCHEMBL1694465 0.75 KDM4E (0.62) HAVCR2ALDH1A1HPGDHSD17B10GAA
SCHEMBL16685480 0.69 HAVCR2 (0.51) HAVCR2ALDH1A1HPGDAPOBEC3GHSD17B10
SCHEMBL1801170 0.69
SCHEMBL16685611 0.68 HAVCR2 (0.50) HAVCR2ALDH1A1HPGDAPOBEC3GHSD17B10
SCHEMBL2922142 0.67 HAVCR2 (0.50) HAVCR2ALDH1A1HPGDAPOBEC3GHSD17B10
SCHEMBL1344362 0.64 KDM4E (0.46) HAVCR2ALDH1A1HPGDAPOBEC3GHSD17B10
SCHEMBL1926225 0.64 KDM4E (0.46) HAVCR2ALDH1A1HPGDAPOBEC3GHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250146035-A1 BIOCATALYST AND METHODS FOR SYNTHESIZING MIXED DISULFIDE CONJUGATES OF THIENOPYRIDINE COMPOUNDS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2025-05-08 US claimed
US-12188069-B2 Biocatalyst and methods for synthesizing mixed disulfide conjugates of thienopyridine compounds THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2025-01-07 US claimed
EP-3746551-A1 BIOCATALYST AND METHODS FOR SYNTHESIZING MIXED DISULFIDE CONJUGATES OF THIENOPYRIDINE COMPOUNDS The Regents Of The University Of Michigan (US) 2020-12-09 EP claimed
US-20200370081-A1 BIOCATALYST AND METHODS FOR SYNTHESIZING MIXED DISULFIDE CONJUGATES OF THIENOPYRIDINE COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-11-26 US claimed
CN-111699248-A Biocatalysts and methods for synthesizing mixed disulfide conjugates of thienopyridine compounds 密执安大学评议会 2020-09-22 CN claimed
WO-2019152679-A1 BIOCATALYST AND METHODS FOR SYNTHESIZING MIXED DISULFIDE CONJUGATES OF THIENOPYRIDINE COMPOUNDS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-08-08 WO claimed
US-20250146035-A1 BIOCATALYST AND METHODS FOR SYNTHESIZING MIXED DISULFIDE CONJUGATES OF THIENOPYRIDINE COMPOUNDS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2025-05-08 US disclosed
US-12188069-B2 Biocatalyst and methods for synthesizing mixed disulfide conjugates of thienopyridine compounds THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2025-01-07 US disclosed
CN-111699248-B Biocatalysts and methods for synthesizing mixed disulfide conjugates of thienopyridine compounds 密执安大学评议会 2024-05-24 CN disclosed
EP-3746551-A1 BIOCATALYST AND METHODS FOR SYNTHESIZING MIXED DISULFIDE CONJUGATES OF THIENOPYRIDINE COMPOUNDS The Regents Of The University Of Michigan (US) 2020-12-09 EP disclosed
US-20200370081-A1 BIOCATALYST AND METHODS FOR SYNTHESIZING MIXED DISULFIDE CONJUGATES OF THIENOPYRIDINE COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-11-26 US disclosed
CN-111699248-A Biocatalysts and methods for synthesizing mixed disulfide conjugates of thienopyridine compounds 密执安大学评议会 2020-09-22 CN disclosed
WO-2019152679-A1 BIOCATALYST AND METHODS FOR SYNTHESIZING MIXED DISULFIDE CONJUGATES OF THIENOPYRIDINE COMPOUNDS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-08-08 WO disclosed
US-20160137664-A1 THIENO [2,3-b] PYRIDINES AS MULTIDRUG RESISTANCE MODULATORS LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) 2016-05-19 US disclosed
EP-3008073-A1 THIENO[2,3-b]PYRIDINES AS MULTIDRUG RESISTANCE MODULATORS LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) 2016-04-20 EP disclosed
WO-2014199195-A1 THIENO[2,3-b]PYRIDINES AS MULTIDRUG RESISTANCE MODULATORS LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) 2014-12-18 WO disclosed
CN-101685733-A High-temperature thermal fuse device THERM O DISC INC 2010-03-31 CN disclosed
EP-0104876-B1 HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES ICI AUSTRALIA LIMITED (AU) 1991-12-27 EP disclosed
US-4631081-A Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1986-12-23 US disclosed
EP-0104876-A2 Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1984-04-04 EP 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-20250146035-A1 BIOCATALYST AND METHODS FOR SYNTHESIZING MIXED DISULFIDE CONJUGATES OF THIENOPYRIDINE COMPOUNDS CYP4F3, CYP2E1, CYP1A2 HAVCR2 2990/4885ALDH1A1 395/4885HPGD 157/4885
US-20160137664-A1 THIENO [2,3-b] PYRIDINES AS MULTIDRUG RESISTANCE MODULATORS ABCC1, ABCB1, MT-CO1 HAVCR2 1239/4885ALDH1A1 1394/4885HPGD 590/4885
US-20200370081-A1 BIOCATALYST AND METHODS FOR SYNTHESIZING MIXED DISULFIDE CONJUGATES OF THIENOPYRIDINE COMPOUNDS CYP4F3, CYP2E1, CYP1A2 HAVCR2 2990/4885ALDH1A1 395/4885HPGD 157/4885
US-12188069-B2 Biocatalyst and methods for synthesizing mixed disulfide conjugates of thienopyridine compounds CYP4F3, CYP2E1, CYP1A2 HAVCR2 2990/4885ALDH1A1 395/4885HPGD 157/4885

“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.