SCHEMBL4032494

SCHEMBL4032494

Cc1cc([N+](=O)[O-])ccc1Nc1ccccn1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.73
KMT2A Q03164 8/20 0.73
L3MBTL1 Q9Y468 2/20 0.58
MAPT P10636 9/20 0.57
NPC1 O15118 6/20 0.57
RAB9A P51151 6/20 0.57
ALDH1A1 P00352 5/20 0.57
KDM4E B2RXH2 4/20 0.57
LMNA P02545 4/20 0.57
MITF O75030 1/20 0.57
CRHBP P24387 2/20 0.52
CRHR2 Q13324 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
CASP3 P42574 2/20 0.50
HSP90AA1 P07900 2/20 0.50
TDP2 O95551 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
SCHEMBL1857449 0.83 MEN1 (0.73) MEN1KMT2AL3MBTL1MAPTNPC1
SCHEMBL4027915 0.83 MEN1 (0.73) MEN1KMT2AL3MBTL1MAPTNPC1
SCHEMBL28113011 0.83 MEN1 (0.51) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL27827795 0.82 MEN1 (0.71) MEN1KMT2AL3MBTL1MAPTNPC1
SCHEMBL8427868 0.80 MEN1 (0.68) MEN1KMT2AL3MBTL1MAPTNPC1
SCHEMBL15960021 0.80 MEN1 (0.68) MEN1KMT2AL3MBTL1MAPTNPC1
SCHEMBL28968698 0.80 ALDH1A1 (0.64) MEN1KMT2AL3MBTL1MAPTNPC1
SCHEMBL11337250 0.78 MAPT (0.68) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL31220843 0.78 MEN1 (0.73) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL9777601 0.78 MEN1 (0.54) MEN1KMT2AL3MBTL1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444210-B1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-02-18 EP disclosed
US-20070082921-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-12 US 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 (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-20050043336-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 MEN1 1212/4885KMT2A 1693/4885L3MBTL1 3696/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 MEN1 2352/4885KMT2A 1786/4885L3MBTL1 4594/4885

“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.