SCHEMBL4033934

SCHEMBL4033934

CN(c1ccccn1)c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.51
TP53 P04637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL4029429 0.85 TP53 (0.47) PDE7ATP53ALDH1A1POLBNPC1
SCHEMBL6756625 0.81 TP53 (0.45) PDE7ATP53ALDH1A1SMN1; SMN2POLB
SCHEMBL6819389 0.79 HSD17B10 (0.50) PDE7AALDH1A1SMN1; SMN2HSD17B10NPC1
SCHEMBL5204546 0.77 L3MBTL1 (0.49) TP53ALDH1A1SMN1; SMN2POLBNPC1
SCHEMBL4029123 0.76 CYP2C19 (0.42) TP53ALDH1A1SMN1; SMN2HSD17B10NPC1
SCHEMBL6759904 0.76 POLB (0.64) TP53ALDH1A1SMN1; SMN2POLBNPC1
SCHEMBL4802337 0.75 HSD17B10 (0.60) PDE7ATP53ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL27200599 0.71 NPBWR1 (0.44) ALDH1A1SMN1; SMN2HSD17B10POLBKMT2A
SCHEMBL13549957 0.71 PDE7A (0.57) PDE7ATP53ALDH1A1HSD17B10POLB
SCHEMBL6252749 0.70 POLB (0.50) PDE7ATP53ALDH1A1HSD17B10POLB

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 PDE7A 3807/4885TP53 8/4885ALDH1A1 3334/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 PDE7A 3933/4885TP53 19/4885ALDH1A1 4094/4885

“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.