SCHEMBL3489608

SCHEMBL3489608

COc1cc(C#N)c([N+](=O)[O-])cc1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
MAPT P10636 5/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 2/20 0.52
HTR1A P08908 2/20 0.51
ADRA1D P25100 2/20 0.51
ADRA1A P35348 2/20 0.51
ADRA1B P35368 2/20 0.51
GAA P10253 1/20 0.46
ABCB1 P08183 1/20 0.46
SGMS2 Q8NHU3 1/20 0.46
KDM4E B2RXH2 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CTSV O60911 1/20 0.45
CTSL P07711 1/20 0.45
CHRNA7 P36544 2/20 0.44
XDH P47989 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL6766242 1.00 MEN1 (0.52) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL5546245 0.92 MEN1 (0.48) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL16539610 0.89 HTR1A (0.52) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL10585706 0.84 MEN1 (0.56) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL31756984 0.84 MEN1 (0.56) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL11232948 0.83 ABCB1 (0.57) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL2773208 0.83 MAPT (0.53) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL21070850 0.82 MEN1 (0.54) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL31664124 0.82 MEN1 (0.54) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL6361032 0.81 MEN1 (0.53) MEN1KMT2AMAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3433249-B1 BLOCKING TOLL-LIKE RECEPTOR 9 SIGNALING WITH SMALL MOLECULE ANTAGONIST COUNCIL SCIENT IND RES (IN) 2022-11-09 EP disclosed
US-10662177-B2 Blocking toll-like receptor 9 signaling with small molecule antagonist COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2020-05-26 US disclosed
US-20190092758-A1 BLOCKING TOLL-LIKE RECEPTOR 9 SIGNALING WITH SMALL MOLECULE ANTAGONIST COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2019-03-28 US disclosed
EP-3433249-A1 BLOCKING TOLL-LIKE RECEPTOR 9 SIGNALING WITH SMALL MOLECULE ANTAGONIST Council Of Scientific & Industrial Research (IN) 2019-01-30 EP disclosed
WO-2017163264-A1 BLOCKING TOLL-LIKE RECEPTOR 9 SIGNALING WITH SMALL MOLECULE ANTAGONIST COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-09-28 WO disclosed
WO-2017163264-A1 BLOCKING TOLL-LIKE RECEPTOR 9 SIGNALING WITH SMALL MOLECULE ANTAGONIST COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-09-28 WO disclosed
US-9567358-B2 Methods of treatment using N-(3-fluorophenyl)-2-{3-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}-quinazolin-4-yl)amino]-1H-pyrazol-5-yl}acetamide ASTRAZENECA AB (SE) 2017-02-14 US disclosed
US-20150307534-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2015-10-29 US disclosed
US-9018191-B2 Phosphonoxy quinazoline derivatives and their pharmaceutical use ASTRAZENECA AB (SE) 2015-04-28 US disclosed
US-20140162984-A1 PHOSPHONOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2014-06-12 US disclosed
EP-1575946-A1 QUINAZOLINE COMPOUNDS AstraZeneca AB (SE) 2005-09-21 EP disclosed
US-6919338-B2 Substituted quinazoline derivatives and their use as inhibitors of aurora-2 kinase ASTRAZENECA AB (SE) 2005-07-19 US disclosed
US-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2005-03-31 US disclosed
EP-1463506-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES Astrazeneca AB (SE) 2004-10-06 EP disclosed
WO-2004058752-A1 QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2004-07-15 WO disclosed
WO-2004058781-A1 PHOSPHONOOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2004-07-15 WO disclosed
US-20030187002-A1 Substituted quinazoline derivatives and their use as inhibitors ASTRAZENECA AB (SE) 2003-10-02 US disclosed
WO-2003055491-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES ASTRAZENECA AB (SE) 2003-07-10 WO disclosed
EP-1299381-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS AstraZeneca AB (SE) 2003-04-09 EP disclosed
WO-2002000649-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2002-01-03 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-20140162984-A1 PHOSPHONOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE PLK2, ABL1, CYP3A5 MEN1 1577/4885KMT2A 3116/4885MAPT 1351/4885
US-20190092758-A1 BLOCKING TOLL-LIKE RECEPTOR 9 SIGNALING WITH SMALL MOLECULE ANTAGONIST TLR9, TLR1, TLR3 MEN1 4468/4885KMT2A 1617/4885MAPT 4756/4885
US-20150307534-A1 CHEMICAL COMPOUNDS ABL1, NQO1, NQO2 MEN1 748/4885KMT2A 1309/4885MAPT 1153/4885
US-10662177-B2 Blocking toll-like receptor 9 signaling with small molecule antagonist TLR9, TLR1, TLR3 MEN1 4489/4885KMT2A 1457/4885MAPT 4730/4885
US-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases AURKC, AURKA, AURKB MEN1 1579/4885KMT2A 721/4885MAPT 806/4885
US-20030187002-A1 Substituted quinazoline derivatives and their use as inhibitors AURKA, AURKC, AURKB MEN1 2422/4885KMT2A 790/4885MAPT 1809/4885

“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.