SCHEMBL4031207

SCHEMBL4031207

O=[N+]([O-])c1ccc(Oc2cccc(F)c2F)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.58
MEN1 O00255 6/20 0.58
HSPB1 P04792 4/20 0.57
PDE7A Q13946 1/20 0.53
MAPT P10636 7/20 0.49
HPGD P15428 3/20 0.49
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 4/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL11511746 0.83 PDE7A (0.71) KMT2AMEN1PDE7AMAPTHPGD
SCHEMBL22069578 0.82 HPGD (0.63) KMT2AMEN1HSPB1PDE7AMAPT
SCHEMBL30098850 0.82 HPGD (0.63) KMT2AMEN1HSPB1PDE7AMAPT
SCHEMBL22069554 0.81 KMT2A (0.62) KMT2AMEN1HSPB1PDE7AMAPT
SCHEMBL3484284 0.78 KMT2A (0.61) KMT2AMEN1HSPB1PDE7AMAPT
SCHEMBL13860387 0.78 HSPB1 (0.63) KMT2AMEN1HSPB1PDE7AMAPT
SCHEMBL22069631 0.78 HSPB1 (0.57) KMT2AMEN1HSPB1PDE7AMAPT
SCHEMBL6237528 0.78 KMT2A (0.65) KMT2AMEN1HSPB1PDE7AMAPT
SCHEMBL4030285 0.78 MEN1 (0.61) KMT2AMEN1HSPB1PDE7AMAPT
SCHEMBL4965383 0.77 PDE7A (0.63) KMT2AMEN1PDE7AMAPTHPGD

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 KMT2A 1693/4885MEN1 1212/4885HSPB1 3772/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 KMT2A 1786/4885MEN1 2352/4885HSPB1 3789/4885

“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.