SCHEMBL4493536

SCHEMBL4493536

Oc1c(Br)ccc2c1OCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.50
CYP3A4 P08684 2/20 0.42
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
P4HB P07237 1/20 0.38
TXNRD1 Q16881 1/20 0.37
TXNRD3 Q86VQ6 1/20 0.37
TXNRD2 Q9NNW7 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL27033249 0.78 AOC3 (0.53) AOC3CYP3A4MAPTP4HBTXNRD1
SCHEMBL12865263 0.75 AOC3 (0.50) AOC3CYP3A4MAPTKMT2AMEN1
SCHEMBL12613198 0.75 AOC3 (0.42) AOC3CYP3A4P4HBTXNRD1TXNRD3
SCHEMBL1768456 0.75 AOC3 (0.50) AOC3CYP3A4TXNRD1TXNRD3TXNRD2
SCHEMBL30507560 0.75 AOC3 (0.50) AOC3CYP3A4MAPTKMT2AMEN1
SCHEMBL4031896 0.75 AOC3 (0.50) AOC3CYP3A4MAPTKMT2AMEN1
SCHEMBL12119917 0.75 NQO2 (0.44) AOC3CYP3A4KMT2AMEN1P4HB
SCHEMBL3672985 0.75 AOC3 (0.50) AOC3CYP3A4MAPTKMT2ATXNRD1
SCHEMBL27967472 0.75 AOC3 (0.50) AOC3CYP3A4MAPTKMT2AMEN1
SCHEMBL8468090 0.74 AOC3 (0.49) AOC3CYP3A4MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501516-B2 Quinoline derivatives and their use as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2009-03-10 US disclosed
EP-1381599-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2008-09-24 EP disclosed
US-7223756-B2 Quinazoline compounds with therapeutic use ASTRAZENECA AB (SE) 2007-05-29 US disclosed
US-7141577-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2006-11-28 US disclosed
EP-1409481-B1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-10-04 EP disclosed
US-20050009850-A1 Quinazoline compounds with therapeutic use ASTRAZENECA AB (SE) 2005-01-13 US disclosed
US-20050009867-A1 Quinoline derivatives and their use as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2005-01-13 US disclosed
EP-1451180-A1 QUINAZOLINE COMPOUNDS WITH THERAPEUTIC USE Astrazeneca AB (SE) 2004-09-01 EP disclosed
US-20040138240-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2004-07-15 US disclosed
EP-1409481-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS Astrazeneca AB (SE) 2004-04-21 EP disclosed
EP-1381599-A1 QUINAZOLINE DERIVATIVES Astrazeneca AB (SE) 2004-01-21 EP disclosed
WO-2003047582-A1 QUINOLINE DERIVATIVES AS ANTITUMOUR AGENTS ASTRAZENECA AB (SE) 2003-06-12 WO disclosed
WO-2003045943-A1 QUINAZOLINE COMPOUNDS WITH THERAPEUTIC USE ASTRAZENECA AB (SE) 2003-06-05 WO disclosed
WO-2003008409-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2003-01-30 WO disclosed
WO-2002085895-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-10-31 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 (3 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-20040138240-A1 Quinazoline derivatives NQO2, WEE1, CMA1 AOC3 2172/4885CYP3A4 498/4885MAPT 4463/4885
US-20050009850-A1 Quinazoline compounds with therapeutic use CD4, HLA-DRB1, IL5 AOC3 2562/4885CYP3A4 1123/4885MAPT 3172/4885
US-20050009867-A1 Quinoline derivatives and their use as tyrosine kinase inhibitors ABL1, FLT3, JAK2 AOC3 3648/4885CYP3A4 1743/4885MAPT 2233/4885

“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.