SCHEMBL4258013

SCHEMBL4258013

Brc1cccc(-c2nn[nH]n2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GP6 Q9HCN6 1/20 0.66
IDO1 P14902 2/20 0.64
ALDH1A1 P00352 3/20 0.62
ATM Q13315 1/20 0.61
PTK2 Q05397 1/20 0.59
METAP2 P50579 1/20 0.54
ADH5 P11766 1/20 0.53
PFKFB4 Q16877 1/20 0.52
GPR35 Q9HC97 2/20 0.51
CYP2A6 P11509 1/20 0.51
MAPT P10636 2/20 0.51
HPGDS O60760 1/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL25378122 0.79 GP6 (1.00) GP6IDO1ALDH1A1ADH5PFKFB4
SCHEMBL12367 0.78 GP6 (0.66) GP6IDO1ALDH1A1METAP2ADH5
SCHEMBL21346024 0.78 GP6 (0.66) GP6IDO1ALDH1A1ATMADH5
SCHEMBL2646724 0.78 GP6 (0.66) GP6IDO1ALDH1A1ATMADH5
SCHEMBL4180199 0.78 GP6 (0.66) GP6IDO1ALDH1A1ATMMETAP2
SCHEMBL3109571 0.78 GP6 (0.66) GP6IDO1ALDH1A1ADH5CYP2A6
SCHEMBL1628598 0.78 GP6 (0.66) GP6IDO1ALDH1A1ATMMETAP2
SCHEMBL788085 0.78 GP6 (0.66) GP6IDO1ALDH1A1ATMMETAP2
SCHEMBL2896088 0.78 IDO1 (1.00) GP6IDO1ALDH1A1ADH5CYP2A6
SCHEMBL614860 0.77 GP6 (0.48) GP6IDO1ALDH1A1ATMPTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103951662-A 1, 2, 4-oxadiazole micromolecule main body material as well as preparation method and application thereof UNIV SOUTH CHINA TECH 2014-07-30 CN claimed
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 US disclosed
US-11834449-B2 TYK2 inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-05 US disclosed
US-11834449-B2 TYK2 inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-05 US disclosed
CN-117120419-A KLK5 bicyclic heteroaromatic inhibitors 拜奥克里斯特制药公司 2023-11-24 CN disclosed
WO-2020112937-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2020-06-04 WO disclosed
CN-103951662-B Little molecule material of main part of a kind of 1,2,4-oxadiazole and preparation method thereof, application SOUTH CHINA UNIVERSITY OF TECHNOLOGY (CN) 2016-05-04 CN disclosed
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2015-08-20 US disclosed
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2015-08-20 US disclosed
US-20150065497-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2015-03-05 US disclosed
US-7179822-B2 Hetero biaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-02-20 US disclosed
CN-1674892-A Hetero biaryl derivatives as matrix metalloproteinase inhibitors WARNER LAMBERT CO (US) 2005-09-28 CN disclosed
EP-1536784-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-06-08 EP disclosed
EP-1434773-A4 HETEROARYL SUBSTITUTED TETRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO INC (US) 2005-01-12 EP disclosed
US-20040186295-A1 Heteroaryl substituted tetrazole modulators of metabotrophic glutamate receptor-5 MERCK SHARP & DOHME LLC 2004-09-23 US disclosed
EP-1434773-A2 HETEROARYL SUBSTITUTED TETRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Merck & Co., Inc. (US) 2004-07-07 EP disclosed
WO-2004030637-A2 TREATMENT OF OBESITY AND OTHER DISORDERS ASSOCIATED WITH EXCESSIVE FOOD INTAKE MERCK & CO., INC. (US) 2004-04-15 WO disclosed
US-20040048863-A1 Hetero biaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY LLC 2004-03-11 US disclosed
WO-2004014366-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed
WO-2003029210-A2 HETEROARYL SUBSTITUTED TETRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO. INC. (US) 2003-04-10 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 (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-11834449-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 GP6 3751/4885IDO1 429/4885ALDH1A1 4827/4885
US-20040186295-A1 Heteroaryl substituted tetrazole modulators of metabotrophic glutamate receptor-5 GRM5, GRM1, GRIK5 GP6 1362/4885IDO1 4157/4885ALDH1A1 3515/4885
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 KLK5, KLK1, KLKB1 GP6 4628/4885IDO1 2041/4885ALDH1A1 1532/4885
US-20040048863-A1 Hetero biaryl derivatives as matrix metalloproteinase inhibitors MMP13, MMP11, MMP9 GP6 485/4885IDO1 606/4885ALDH1A1 1358/4885
US-20150065497-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 GP6 2005/4885IDO1 4810/4885ALDH1A1 1961/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 GP6 2489/4885IDO1 4676/4885ALDH1A1 2535/4885

“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.