SCHEMBL4029429

SCHEMBL4029429

Cc1cc([N+](=O)[O-])ccc1N(C)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
L3MBTL1 Q9Y468 4/20 0.45
ALDH1A1 P00352 5/20 0.45
TDP1 Q9NUW8 3/20 0.45
TSHR P16473 1/20 0.45
POLB P06746 1/20 0.43
CYP3A4 P08684 3/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
PDE7A Q13946 2/20 0.40
MAPT P10636 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPK1 P28482 1/20 0.40
PDE2A O00408 1/20 0.40
PDE5A O76074 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
APEX1 P27695 1/20 0.40
PDE4A P27815 1/20 0.40

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
SCHEMBL4033934 0.85 PDE7A (0.51) TP53L3MBTL1ALDH1A1POLBCYP3A4
SCHEMBL5204546 0.79 L3MBTL1 (0.49) TP53L3MBTL1ALDH1A1TDP1TSHR
SCHEMBL28455320 0.79 ALDH1A1 (0.51) L3MBTL1ALDH1A1TDP1TSHRCYP3A4
SCHEMBL6759904 0.77 POLB (0.64) TP53L3MBTL1ALDH1A1POLBMEN1
SCHEMBL6787809 0.76 POLB (0.65) L3MBTL1ALDH1A1TDP1TSHRPOLB
SCHEMBL4033315 0.76 CYP2D6 (0.39) TP53L3MBTL1ALDH1A1TSHRMAPT
SCHEMBL792021 0.74 ALDH1A1 (0.62) TP53L3MBTL1ALDH1A1TDP1TSHR
SCHEMBL4742849 0.74 CYP2D6 (0.46) L3MBTL1ALDH1A1TSHRMAPTMAPK1
SCHEMBL6756625 0.71 TP53 (0.45) TP53L3MBTL1ALDH1A1TDP1POLB
SCHEMBL27648962 0.71 ALOX15 (0.46) TP53L3MBTL1ALDH1A1TSHRPOLB

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 TP53 8/4885L3MBTL1 3696/4885ALDH1A1 3334/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 TP53 19/4885L3MBTL1 4594/4885ALDH1A1 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.