SCHEMBL4033700

SCHEMBL4033700

Nc1ccc(Nc2ccccn2)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
GAA P10253 1/20 0.57
ALOX15 P16050 1/20 0.57
HTT P42858 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
MAPK10 P53779 2/20 0.56
GFER P55789 1/20 0.56
JAK2 O60674 2/20 0.47
JAK1 P23458 2/20 0.47
TYK2 P29597 2/20 0.47
JAK3 P52333 1/20 0.47
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
TDP2 O95551 2/20 0.44
CASP6 P55212 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HSP90AA1 P07900 1/20 0.44

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
SCHEMBL18338084 0.85 KMT2A (0.58) ALDH1A1GAAKMT2AMEN1MAPK10
SCHEMBL4033484 0.82 MAPK10 (0.55) ALDH1A1GAAKMT2AMEN1MAPK10
SCHEMBL7985717 0.80 KMT2A (0.73) ALDH1A1HTTKMT2AMEN1MAPK10
SCHEMBL21750984 0.79 RAB9A (0.72) HTTKMT2AMEN1RAB9ANPC1
SCHEMBL28864027 0.79 KMT2A (0.70) ALDH1A1KMT2AMEN1MAPK10GFER
SCHEMBL1600227 0.78 MEN1 (0.50) TDP1KMT2AMEN1MAPK10GFER
SCHEMBL4027915 0.76 MEN1 (0.73) ALDH1A1GAAHTTTDP1KMT2A
SCHEMBL4926590 0.75 MEN1 (0.55) GAAKMT2AMEN1MAPK10GFER
SCHEMBL3642226 0.75 MAPK10 (0.51) ALDH1A1GAAALOX15HTTKMT2A
SCHEMBL3279571 0.73 MEN1 (1.00) ALDH1A1GAAALOX15KMT2AMEN1

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 ALDH1A1 3334/4885GAA 3188/4885ALOX15 4602/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 ALDH1A1 4094/4885GAA 2206/4885ALOX15 4682/4885

“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.