SCHEMBL4029471

SCHEMBL4029471

O=[N+]([O-])c1ccc(Sc2cccc3cccnc23)c(Cl)c1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.76
KMT2A Q03164 6/20 0.76
MAPT P10636 5/20 0.76
NPSR1 Q6W5P4 4/20 0.76
TDP1 Q9NUW8 2/20 0.76
RAB9A P51151 2/20 0.76
HTT P42858 2/20 0.76
PSMD14 O00487 1/20 0.76
LMNA P02545 2/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
ALDH1A1 P00352 2/20 0.63
PDE7A Q13946 8/20 0.62
GAA P10253 3/20 0.59
MAPK1 P28482 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
PDE4D Q08499 2/20 0.55
PDE4B Q07343 1/20 0.55
PDE7B Q9NP56 1/20 0.55
PDE10A Q9Y233 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
SCHEMBL4028265 0.80 PDE7A (0.72) MEN1KMT2AMAPTNPSR1TDP1
SCHEMBL27581742 0.79 PDE7A (0.75) KMT2AMAPTHTTLMNASMN1; SMN2
SCHEMBL27581731 0.79 PDE7A (0.67) MEN1KMT2AMAPTNPSR1TDP1
SCHEMBL6973656 0.78 PDE7A (0.60) MEN1KMT2AMAPTNPSR1TDP1
SCHEMBL7607910 0.78 PDE7A (0.78) KMT2AMAPTTDP1HTTLMNA
SCHEMBL4034456 0.78 KMT2A (0.53) MEN1KMT2AMAPTNPSR1TDP1
SCHEMBL4032090 0.76 PDE7A (1.00) MEN1KMT2AMAPTNPSR1TDP1
SCHEMBL14685849 0.76 MEN1 (0.53) MEN1KMT2AMAPTNPSR1TDP1
SCHEMBL8308443 0.76 PDE7A (0.63) MEN1KMT2AMAPTNPSR1TDP1
SCHEMBL9447037 0.75 KMT2A (1.00) MEN1KMT2AMAPTNPSR1TDP1

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 7 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
CN-100343238-C Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2007-10-17 CN 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
CN-1585754-A Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-02-23 CN 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 1693/4885MAPT 4300/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 MEN1 2352/4885KMT2A 1786/4885MAPT 4124/4885

“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.