SCHEMBL1134875

SCHEMBL1134875

CNS(=O)(=O)c1ccc(CN)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 5/20 0.59
PSIP1 O75475 1/20 0.59
CA1 P00915 6/20 0.57
CA2 P00918 6/20 0.57
CA12 O43570 4/20 0.57
CA4 P22748 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
CA6 P23280 3/20 0.57
CA5A P35218 3/20 0.57
CA7 P43166 3/20 0.57
CA14 Q9ULX7 3/20 0.57
CA5B Q9Y2D0 3/20 0.57
GAA P10253 2/20 0.57
CA3 P07451 2/20 0.55
CA13 Q8N1Q1 2/20 0.55
MAPT P10636 1/20 0.55
LMNA P02545 2/20 0.53
HTT P42858 1/20 0.53
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 2/20 0.52

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
SCHEMBL28469589 0.84 CA1 (0.60) CA9CA1CA2CA12CA4
SCHEMBL7629070 0.82 SMN1; SMN2 (0.80) CA9CA1CA2CA12CA4
SCHEMBL1014348 0.81 HTR6 (0.55) PSIP1SMN1; SMN2GAALMNAHTR6
SCHEMBL3702441 0.81 UCHL1 (0.59) CA9CA1CA2CA12CA4
SCHEMBL25619933 0.80 PSIP1 (0.55) CA9PSIP1CA1CA2CA12
SCHEMBL1751929 0.80 SMN1; SMN2 (0.53) CA9CA1CA2CA12CA4
SCHEMBL1751926 0.80 SMN1; SMN2 (0.53) CA9CA1CA2CA12CA4
SCHEMBL4615358 0.80 ALDH1A1 (0.63) CA9PSIP1CA1CA2CA12
Hydrochloric Acid SCHEMBL4636143 0.80 HTR6 (0.54) PSIP1CA1CA2SMN1; SMN2GAA
SCHEMBL1752461 0.79 SMN1; SMN2 (0.57) CA9CA1CA2CA12CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937652-B1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMA INC (US) 2014-07-30 EP claimed
WO-2025021943-A1 QUINAZOLINONE, BENZOXAZINONE AND BENZOXAZEPINONE DERIVATIVES AS PROTEIN KINASE INHIBITORS NEURALIS (BE) 2025-01-30 WO disclosed
EP-3452477-B1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B C I PHARMA (BE) 2023-09-13 EP disclosed
US-11535614-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma VITAE PHARMACEUTICALS, LLC (US) 2022-12-27 US disclosed
CN-109206360-B Carbazole amide derivative or salt thereof, and preparation method and application thereof 复旦大学 2022-05-17 CN disclosed
US-11236093-B2 Adenine derivatives as protein kinase inhibitors B.C.I. PHARMA (BE) 2022-02-01 US disclosed
WO-2021262910-A2 TUBULYSINS AND PROTEIN-TUBULYSIN CONJUGATES REGENERON PHARMACEUTICALS, INC. (US) 2021-12-30 WO disclosed
EP-3476829-B1 BIARYL UREA DERIVATIVE OR SALT THEREOF, AND MANUFACTURING AND APPLICATION OF SAME UNIV FUDAN (CN) 2021-12-15 EP disclosed
US-20210238174-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2021-08-05 US disclosed
US-20210094940-A1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2021-04-01 US disclosed
US-7161003-B1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-01-09 US disclosed
US-20060287365-A1 Substituted arylpyrazoles ZOETIS LLC 2006-12-21 US disclosed
US-20060173050-A1 Inhibitors of c-Jun N-terminal kinases ABBVIE INC. 2006-08-03 US disclosed
US-7067541-B2 2-amino-pyridine derivatives useful for the treatment of diseases PFIZER INC (US) 2006-06-27 US disclosed
EP-1633714-A1 2-AMINO-PYRIDINE DERIVATIVES AS BETA-2 ADRENORECEPTOR AGONISTS Pfizer Limited (GB) 2006-03-15 EP disclosed
US-20050004182-A1 2-Amino-pyridine derivatives useful for the treatment of diseases PFIZER INC 2005-01-06 US disclosed
WO-2004108675-A1 2-AMINO-PYRIDINE DERIVATIVES AS BETA-2 ADRENORECEPTOR AGONISTS PFIZER LIMITED (GB) 2004-12-16 WO disclosed
US-20040235833-A1 Indole derivatives useful for the treatment of diseases PFIZER INC 2004-11-25 US disclosed
EP-1460064-A1 Indole-2-carboxamide derivatives useful as beta-2 agonists Pfizer Limited (GB) 2004-09-22 EP disclosed
WO-2003055866-A1 QUINAZOLINE AND QUINOLINE DERIVATIVE COMPOUNDS AS INHIBITORS OF PROLYLPEPTIDASE, INDUCERS OF APOPTOSIS AND CANCER TREATMENT AGENTS BAYER PHARMACEUTICALS CORPORATION (US) 2003-07-10 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 (8 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-11236093-B2 Adenine derivatives as protein kinase inhibitors ADK, TNNI3K, TNK2 CA9 3381/4885PSIP1 1503/4885CA1 4385/4885
US-20060173050-A1 Inhibitors of c-Jun N-terminal kinases MAPKAPK3, MAP3K3, MAPK3 CA9 4833/4885PSIP1 3509/4885CA1 4237/4885
US-20210238174-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA CA9 2238/4885PSIP1 2094/4885CA1 2174/4885
US-20060287365-A1 Substituted arylpyrazoles CYP3A4, CYP3A43, CYP4B1 CA9 2702/4885PSIP1 1740/4885CA1 3510/4885
US-20210094940-A1 MODULATORS OF ROR-GAMMA RORC, RORB, RORA CA9 2621/4885PSIP1 3311/4885CA1 2386/4885
US-20050004182-A1 2-Amino-pyridine derivatives useful for the treatment of diseases PAH, AADAT, IL4I1 CA9 3415/4885PSIP1 3497/4885CA1 3439/4885
US-11535614-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma RORC, RORB, RORA CA9 2238/4885PSIP1 2094/4885CA1 2174/4885
US-20040235833-A1 Indole derivatives useful for the treatment of diseases IDO1, IDO2, INMT CA9 2808/4885PSIP1 3415/4885CA1 3557/4885

“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.