SCHEMBL4029446

SCHEMBL4029446

Nc1ccc(Sc2ncccn2)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 4/20 0.58
ITGB2 P05107 2/20 0.56
ICAM1 P05362 2/20 0.56
ITGAL P20701 2/20 0.56
ALDH1A1 P00352 7/20 0.48
NPSR1 Q6W5P4 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.45
KDM4E B2RXH2 3/20 0.45
THRB P10828 2/20 0.45
TSHR P16473 4/20 0.44
MAPT P10636 4/20 0.44
KMT2A Q03164 1/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CYP3A4 P08684 3/20 0.42
GAA P10253 3/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SYK P43405 1/20 0.39
CASP1 P29466 2/20 0.38

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
SCHEMBL2977936 0.81 PDE7A (0.59) PDE7AITGB2ICAM1ITGALALDH1A1
SCHEMBL6999713 0.81 PDE7A (0.49) PDE7AITGB2ICAM1ITGALALDH1A1
SCHEMBL7187676 0.80 ITGB2 (0.80) PDE7AITGB2ICAM1ITGALALDH1A1
SCHEMBL8305856 0.78 ALDH1A1 (0.52) PDE7AITGB2ICAM1ITGALALDH1A1
SCHEMBL4034456 0.77 KMT2A (0.53) PDE7AITGB2ICAM1ITGALALDH1A1
SCHEMBL6992214 0.76 PDE7A (0.59) PDE7AITGB2ICAM1ITGALALDH1A1
SCHEMBL720839 0.75 PDE7A (0.73) PDE7AITGB2ICAM1ITGALALDH1A1
SCHEMBL5253210 0.74 PDE7A (0.79) PDE7AITGB2ICAM1ITGALALDH1A1
Hydrochloric Acid SCHEMBL7615653 0.74 ITGB2 (0.70) PDE7AITGB2ICAM1ITGALALDH1A1
SCHEMBL4034133 0.73 FBP1 (0.54) PDE7AITGB2ICAM1ITGALALDH1A1

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 3807/4885ITGB2 3420/4885ICAM1 3706/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 PDE7A 3933/4885ITGB2 3163/4885ICAM1 3713/4885

“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.