SCHEMBL4498724

SCHEMBL4498724

Nc1ccc(Br)c2c1OCO2

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.37
AXL P30530 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL29661608 1.00 AOC3 (0.37) AOC3AXLMEN1ALDH1A1POLB
SCHEMBL17041206 0.86 MAPT (0.35) AXLMEN1ALDH1A1POLBMAPT
SCHEMBL29661294 0.86 MAPT (0.35) AXLMEN1ALDH1A1POLBMAPT
SCHEMBL4492757 0.73 CYP3A4 (0.34) ALDH1A1POLB
SCHEMBL20392875 0.73 AOC3 (0.37) AOC3ALDH1A1
SCHEMBL21552685 0.73 AOC3 (0.37) AOC3
SCHEMBL15688428 0.73 AOC3 (0.37) AOC3
SCHEMBL19122860 0.73 ALDH1A1 (0.34) ALDH1A1
SCHEMBL31042474 0.71 AOC3 (0.40) AOC3
SCHEMBL25310588 0.70 AOC3 (0.39) AOC3

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
CN-118005638-A Pyrazolo [3,4-d ] pyrimidine structure-containing compound, and preparation method and application thereof 西安新通药物研究股份有限公司 2024-05-10 CN disclosed
CN-117580849-A Steroid compound, pharmaceutical composition and application thereof 江苏先声药业有限公司 2024-02-20 CN disclosed
CN-111825701-B Tricyclic FXR modulator compounds containing benzothiazole 正大天晴药业集团股份有限公司 2023-12-08 CN disclosed
US-20230373960-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-11-23 US disclosed
US-20230373960-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-11-23 US disclosed
US-20230373960-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-11-23 US disclosed
CN-116249690-A Indoline compounds and derivatives as EGFR inhibitors 百济神州有限公司 2023-06-09 CN disclosed
EP-4169904-A1 SUBSTITUTED QUINOLINES AS IMPROVED NF-KB-INDUCING KINASE (NIK) INHIBITORS Yukin Therapeutics (FR) 2023-04-26 EP disclosed
WO-2022268176-A1 STEROID COMPOUND, AND PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 江苏先声药业有限公司 2022-12-29 WO disclosed
WO-2022206531-A1 1,3-BENZODIOXOLANE-CONTAINING COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 西安新通药物研究股份有限公司 2022-10-06 WO disclosed
WO-2022063106-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BEIGENE, LTD. (KY) 2022-03-31 WO disclosed
CN-111825701-A Tricyclic FXR modulator compounds containing benzothiazole 正大天晴药业集团股份有限公司 2020-10-27 CN disclosed
US-7501516-B2 Quinoline derivatives and their use as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2009-03-10 US disclosed
EP-1409481-B1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-10-04 EP disclosed
US-20050009867-A1 Quinoline derivatives and their use as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2005-01-13 US disclosed
EP-1409481-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS Astrazeneca AB (SE) 2004-04-21 EP disclosed
WO-2003008409-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2003-01-30 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 (2 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-20230373960-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS EGFR, ERBB2, ERBB4 AOC3 4715/4885AXL 81/4885MEN1 1963/4885
US-20050009867-A1 Quinoline derivatives and their use as tyrosine kinase inhibitors ABL1, FLT3, JAK2 AOC3 3648/4885AXL 25/4885MEN1 576/4885

“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.