SCHEMBL4028265

SCHEMBL4028265

O=[N+]([O-])c1ccc(Sc2ncccn2)c(Cl)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 8/20 0.72
MAPT P10636 6/20 0.71
NPSR1 Q6W5P4 2/20 0.71
GAA P10253 1/20 0.71
PDE4B Q07343 1/20 0.65
PDE4D Q08499 1/20 0.65
PDE7B Q9NP56 1/20 0.65
LMNA P02545 6/20 0.53
ALDH1A1 P00352 5/20 0.52
HTT P42858 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
USP2 O75604 1/20 0.52
ALPG P10696 1/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
HSD17B10 Q99714 1/20 0.50
TP53 P04637 1/20 0.49
TDP1 Q9NUW8 2/20 0.49
PSMD14 O00487 1/20 0.47
RAB9A P51151 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
SCHEMBL4032090 0.84 PDE7A (1.00) PDE7AMAPTNPSR1GAAPDE4B
SCHEMBL27581742 0.84 PDE7A (0.75) PDE7AMAPTPDE4BPDE4DPDE7B
SCHEMBL8308443 0.81 PDE7A (0.63) PDE7AMAPTNPSR1GAAPDE4B
SCHEMBL4029471 0.80 MEN1 (0.76) PDE7AMAPTNPSR1GAAPDE4B
SCHEMBL7607910 0.80 PDE7A (0.78) PDE7AMAPTPDE4BPDE4DPDE7B
SCHEMBL715750 0.79 PDE7A (1.00) PDE7AMAPTNPSR1GAAPDE4B
SCHEMBL8308859 0.78 PDE7A (1.00) PDE7AMAPTPDE4BPDE4DPDE7B
SCHEMBL7605579 0.78 PDE7A (0.67) PDE7AMAPTPDE4BPDE4DPDE7B
SCHEMBL4034313 0.77 PDE7A (0.59) PDE7AMAPTNPSR1GAAPDE4B
SCHEMBL4030271 0.77 PDE7A (0.60) PDE7AMAPTNPSR1GAAPDE4B

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 3807/4885MAPT 4300/4885NPSR1 1088/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 PDE7A 3933/4885MAPT 4124/4885NPSR1 675/4885

“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.