SCHEMBL22110342

SCHEMBL22110342

CC(C)(C)OC(=O)Nc1cnc(Cl)nc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 5/20 0.47
ATR Q13535 1/20 0.47
STK17B O94768 1/20 0.46
STK17A Q9UEE5 1/20 0.46
NAMPT P43490 1/20 0.45
CYP17A1 P05093 2/20 0.43
KCNQ3 O43525 3/20 0.42
KCNQ2 O43526 3/20 0.42
KCNQ5 Q9NR82 3/20 0.42
KCNE1 P15382 2/20 0.42
KCNQ1 P51787 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
PSMB8 P28062 1/20 0.42
MAP4K4 O95819 1/20 0.41
TRPA1 O75762 1/20 0.41

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
SCHEMBL31378805 0.83 KCNQ3 (0.53) MAPKAPK2ATRNAMPTCYP17A1KCNQ3
SCHEMBL535403 0.83 KCNQ3 (0.53) MAPKAPK2ATRNAMPTCYP17A1KCNQ3
SCHEMBL12517613 0.83 NAMPT (0.45) MAPKAPK2ATRNAMPTCYP17A1CA12
SCHEMBL1548181 0.83 MAPKAPK2 (0.47) MAPKAPK2ATRNAMPTCYP17A1PSMB8
SCHEMBL25547892 0.81 CYP17A1 (0.44) MAPKAPK2ATRNAMPTCYP17A1CA12
SCHEMBL1010435 0.81 ATR (0.46) MAPKAPK2ATRSTK17BSTK17ANAMPT
SCHEMBL9951442 0.80 ATR (0.48) MAPKAPK2ATRNAMPTCYP17A1CA12
SCHEMBL21885914 0.80 CYP17A1 (0.45) MAPKAPK2ATRNAMPTCYP17A1PSMB8
SCHEMBL25547875 0.80 CYP17A1 (0.45) MAPKAPK2ATRNAMPTCYP17A1CA12
SCHEMBL12902766 0.80 ATR (0.45) MAPKAPK2ATRNAMPTCYP17A1CA12

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11980609-B2 LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2024-05-14 US disclosed
EP-4337641-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2024-03-20 EP disclosed
CN-117295717-A LPA receptor antagonists and uses thereof 吉利德科学公司 2023-12-26 CN disclosed
US-20230310400-A9 SYNTHESIS OF SMALL MOLECULE HISTONE DEACETYLASE 6 DEGRADERS, COMPOUNDS FORMED THEREBY, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-10-05 US disclosed
US-20230295123-A1 NOVEL IMIDAZOLE-PYRAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-09-21 US disclosed
EP-4208454-A1 IMIDAZOLE-PYRAZOLE DERIVATIVES WITH ANTI-BACTERIAL PROPERTIES F. Hoffmann-La Roche AG (CH) 2023-07-12 EP disclosed
CN-115989227-A Imidazole-pyrazole derivatives having antibacterial properties 豪夫迈·罗氏有限公司 2023-04-18 CN disclosed
US-20220411405-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2022-12-29 US disclosed
US-20220411405-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2022-12-29 US disclosed
WO-2022240879-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2022-11-17 WO disclosed
WO-2022049011-A1 IMIDAZOLE-PYRAZOLE DERIVATIVES WITH ANTI-BACTERIAL PROPERTIES F. HOFFMANN-LA ROCHE AG (CH) 2022-03-10 WO disclosed
US-11059815-B2 Synthesis of small molecule histone deacetylase 6 degraders, compounds formed thereby, and pharmaceutical compositions containing them WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2021-07-13 US disclosed
US-20200190079-A1 SYNTHESIS OF SMALL MOLECULE HISTONE DEACETYLASE 6 DEGRADERS, COMPOUNDS FORMED THEREBY, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM WISCONSIN ALUMNI RESEARCH FOUNDATION 2020-06-18 US 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 (6 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-20230310400-A9 SYNTHESIS OF SMALL MOLECULE HISTONE DEACETYLASE 6 DEGRADERS, COMPOUNDS FORMED THEREBY, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HDAC1, HDAC6, HDAC3 MAPKAPK2 1951/4885ATR 1207/4885STK17B 2201/4885
US-20200190079-A1 SYNTHESIS OF SMALL MOLECULE HISTONE DEACETYLASE 6 DEGRADERS, COMPOUNDS FORMED THEREBY, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HDAC1, HDAC6, HDAC3 MAPKAPK2 1951/4885ATR 1207/4885STK17B 2201/4885
US-20230295123-A1 NOVEL IMIDAZOLE-PYRAZOLE DERIVATIVES CYP3A7, NISCH, ARG1 MAPKAPK2 2620/4885ATR 2762/4885STK17B 575/4885
US-11980609-B2 LPA receptor antagonists and uses thereof LPAR1, LPAR2, LPAR4 MAPKAPK2 1024/4885ATR 3568/4885STK17B 1256/4885
US-11059815-B2 Synthesis of small molecule histone deacetylase 6 degraders, compounds formed thereby, and pharmaceutical compositions containing them HDAC1, HDAC6, HDAC3 MAPKAPK2 1951/4885ATR 1207/4885STK17B 2201/4885
US-20220411405-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF LPAR1, LPAR2, LPAR4 MAPKAPK2 1024/4885ATR 3568/4885STK17B 1256/4885

“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.