SCHEMBL12371007

SCHEMBL12371007

C=Cc1ncccc1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.39
GABRB2 P47870 2/20 0.39
TSHR P16473 3/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
LMNA P02545 2/20 0.35
CYP3A4 P08684 2/20 0.35
HIF1A Q16665 2/20 0.35
FAAH O00519 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
GABRB1 P18505 1/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2C P28335 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
HTR2B P41595 1/20 0.35

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
SCHEMBL29757436 0.86 GABRA1 (0.33) GABRA1GABRB2TSHRGABRG2GABRB3
SCHEMBL23363406 0.86 GABRA1 (0.33) GABRA1GABRB2TSHRGABRG2GABRB3
SCHEMBL20818183 0.86 GABRA1 (0.33) GABRA1GABRB2TSHRGABRG2GABRB3
SCHEMBL20818418 0.83 BTK (0.32) GABRA1GABRB2CYP3A4HIF1ASLC6A2
SCHEMBL19880468 0.80 GABRA1 (0.39) GABRA1GABRB2TSHRGABRG2GABRB3
SCHEMBL2082260 0.80 GABRA1 (0.39) GABRA1GABRB2TSHRGABRG2GABRB3
SCHEMBL25688689 0.79 NFE2L2 (0.33)
SCHEMBL20831318 0.78 LMNA (0.37) TSHRLMNAHIF1ATDP1HTT
SCHEMBL19124254 0.77 GABRA1 (0.36) GABRA1GABRB2TSHRGABRG2GABRB3
SCHEMBL19685354 0.76 PDXK (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718630-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-08-08 US disclosed
US-20230212149-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2023-07-06 US disclosed
US-20230212149-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2023-07-06 US disclosed
US-20230135350-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-05-04 US disclosed
US-11548871-B2 Triazole carbamate pyridyl sulfonamides as LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2023-01-10 US disclosed
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2022-06-07 US disclosed
US-20210171500-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2021-06-10 US disclosed
US-10774052-B2 Heteroaryl compounds and uses thereof CELGENE CAR LLC (BM) 2020-09-15 US disclosed
US-20190292178-A9 HOST TARGETED INHIBITORS OF DENGUE VIRUS AND OTHER VIRUSES DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-09-26 US disclosed
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-05-09 US disclosed
US-10023588-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-07-17 US disclosed
US-9879003-B2 Host targeted inhibitors of dengue virus and other viruses DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-01-30 US disclosed
US-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-09-21 US disclosed
EP-2714648-B1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2017-08-16 EP disclosed
US-20160046661-A1 RAS INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-02-18 US disclosed
US-20150166532-A1 HOST TARGETED INHIBITORS OF DENGUE VIRUS AND OTHER VIRUSES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-06-18 US disclosed
US-20110207736-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH Gatekeeper Pharmaceuticals, Inc. 2011-08-25 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 (14 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-20230135350-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS GABRA1 4608/4885GABRB2 4079/4885TSHR 4752/4885
US-20150166532-A1 HOST TARGETED INHIBITORS OF DENGUE VIRUS AND OTHER VIRUSES RPL17, RPL26, RPL35 GABRA1 4074/4885GABRB2 4539/4885TSHR 4294/4885
US-20160046661-A1 RAS INHIBITORS AND USES THEREOF KRAS, NRAS, RASGRP1 GABRA1 4056/4885GABRB2 4215/4885TSHR 2481/4885
US-11548871-B2 Triazole carbamate pyridyl sulfonamides as LPA receptor antagonists and uses thereof LPAR3, LPAR1, LPAR2 GABRA1 1083/4885GABRB2 1515/4885TSHR 196/4885
US-11718630-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS GABRA1 4608/4885GABRB2 4079/4885TSHR 4752/4885
US-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC GABRA1 3720/4885GABRB2 3528/4885TSHR 4378/4885
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK GABRA1 3698/4885GABRB2 3315/4885TSHR 3159/4885
US-20190292178-A9 HOST TARGETED INHIBITORS OF DENGUE VIRUS AND OTHER VIRUSES RPL26, RPL35, RPL5 GABRA1 4000/4885GABRB2 4506/4885TSHR 4645/4885
US-10774052-B2 Heteroaryl compounds and uses thereof ABCG2, CYP3A43, CYP3A5 GABRA1 462/4885GABRB2 452/4885TSHR 2837/4885
US-10023588-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS GABRA1 4608/4885GABRB2 4079/4885TSHR 4752/4885
US-20110207736-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH EGFR, ERBB2, BRCA1 GABRA1 2372/4885GABRB2 1479/4885TSHR 1739/4885
US-20210171500-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF LPAR3, LPAR1, LPAR2 GABRA1 1083/4885GABRB2 1515/4885TSHR 196/4885
US-20230212149-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF LPAR3, LPAR1, LPAR2 GABRA1 1083/4885GABRB2 1515/4885TSHR 196/4885
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 GABRA1 4398/4885GABRB2 3419/4885TSHR 4677/4885

“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.