SCHEMBL4033756

SCHEMBL4033756

O=[N+]([O-])c1ccc(Oc2cccnc2)c(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.62
KMT2A Q03164 7/20 0.62
MAPT P10636 7/20 0.62
LMNA P02545 4/20 0.62
HTT P42858 1/20 0.62
PDE7A Q13946 1/20 0.59
ALDH1A1 P00352 8/20 0.55
RAB9A P51151 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GAA P10253 1/20 0.51
PKM P14618 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.50
KDM4E B2RXH2 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
HPGD P15428 1/20 0.47

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
SCHEMBL30879375 1.00 MEN1 (0.62) MEN1KMT2AMAPTLMNAHTT
SCHEMBL1446664 0.84 LMNA (0.62) MEN1KMT2AMAPTLMNAHTT
SCHEMBL29888811 0.84 LMNA (0.62) MEN1KMT2AMAPTLMNAHTT
SCHEMBL2644891 0.84 LMNA (0.62) MEN1KMT2AMAPTLMNAHTT
SCHEMBL29527091 0.83 LMNA (0.69) MEN1KMT2AMAPTLMNAHTT
SCHEMBL4029870 0.83 PDE7A (0.73) MEN1KMT2AMAPTLMNAPDE7A
SCHEMBL5565241 0.83 HTT (0.60) MEN1KMT2AMAPTLMNAHTT
SCHEMBL2031919 0.82 PDE7A (0.60) MEN1KMT2AMAPTLMNAPDE7A
SCHEMBL8395820 0.82 LMNA (0.59) MEN1KMT2AMAPTLMNAHTT
SCHEMBL2028774 0.81 LMNA (0.62) MEN1KMT2AMAPTLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664029-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-12-02 EP disclosed
EP-1444210-B1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-02-18 EP disclosed
US-20070232607-A1 Quinazoline Derivatives as Erbb Receptor Tyrosine kinases BRADBURY ROBERT H 2007-10-04 US disclosed
CN-1993349-A Quinazoline derivatives as ERBB receptor tyrosine kinases ASTRAZENECA AB (SE) 2007-07-04 CN disclosed
US-20070082921-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-12 US disclosed
EP-1756088-A1 QUINAZOLINE DERIVATIVES AS ERBB RECEPTOR TYROSINE KINASES AstraZeneca AB (SE) 2007-02-28 EP disclosed
US-20070015743-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2007-01-18 US disclosed
CN-1882572-A Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2006-12-20 CN disclosed
EP-1664029-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2006-06-07 EP disclosed
WO-2005118572-A1 QUINAZOLINE DERIVATIVES AS ERBB RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2005-12-15 WO disclosed
WO-2005026152-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2005-03-24 WO disclosed
US-20050043336-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-02-24 US disclosed
EP-1444210-A1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040108-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 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 (4 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-20070015743-A1 Quinazoline derivatives as antitumor agents ERBB2, ABL1, EGFR MEN1 2379/4885KMT2A 1832/4885MAPT 3525/4885
US-20050043336-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 MEN1 1212/4885KMT2A 1693/4885MAPT 4300/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 MEN1 2352/4885KMT2A 1786/4885MAPT 4124/4885
US-20070232607-A1 Quinazoline Derivatives as Erbb Receptor Tyrosine kinases ERBB2, ERBB3, ERBB4 MEN1 1605/4885KMT2A 2263/4885MAPT 3779/4885

“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.