SCHEMBL5473733

SCHEMBL5473733

COc1cc2ncnc(Nc3ccc(C(C)=O)cc3)c2cc1OC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.74
EGFR P00533 9/20 0.74
RET P07949 2/20 0.73
GAK O14976 1/20 0.73
RIPK2 O43353 1/20 0.73
STK10 O94804 1/20 0.73
FLT3 P36888 1/20 0.73
JAK3 P52333 1/20 0.73
AAK1 Q2M2I8 1/20 0.73
Q6ZSR9 Q6ZSR9 1/20 0.73
SLK Q9H2G2 1/20 0.73
IRAK4 Q9NWZ3 1/20 0.73
RPS6KA6 Q9UK32 1/20 0.73
ALK Q9UM73 1/20 0.73
LCK P06239 3/20 0.71
AURKA O14965 1/20 0.70
AURKB Q96GD4 1/20 0.70
FLT1 P17948 1/20 0.69
CLK1 P49759 1/20 0.68
ABCG2 Q9UNQ0 1/20 0.68

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
Hydrochloric Acid SCHEMBL5477767 0.99 EGFR (0.73) KDREGFRRETGAKRIPK2
SCHEMBL6688859 0.94 KDR (0.67) KDREGFRRETGAKRIPK2
SCHEMBL6689820 0.93 AURKB (0.73) KDREGFRRETGAKRIPK2
SCHEMBL6689899 0.92 AURKB (0.69) KDREGFRRETGAKRIPK2
SCHEMBL6691540 0.90 KDR (0.66) KDREGFRIRAK4AURKB
SCHEMBL6686765 0.89 EGFR (0.79) KDREGFRRETGAKRIPK2
SCHEMBL5569469 0.89 KDR (0.72) KDREGFRRETGAKRIPK2
SCHEMBL5485308 0.87 EGFR (0.77) KDREGFRRETGAKLCK
SCHEMBL18158156 0.87 AURKB (0.80) KDREGFRRETGAKRIPK2
Hydrochloric Acid SCHEMBL8809205 0.86 AURKB (0.78) KDREGFRRETGAKRIPK2

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
US-8513267-B2 4-anilinoquinazoline derivatives with adenosine-kinase inhibitor properties UNIVERSIDADE ESTADUAL DE CAMPINAS-UNICAMP (BR) 2013-08-20 US disclosed
EP-1737832-B1 4-ANILINOQUINAZOLINE DERIVATIVES WITH ADENOSINE-KINASE INHIBITORY PROPERTIES UNICAMP (BR) 2011-12-14 EP disclosed
US-20070060600-A1 4-Anilinequinazolines with adenosine-kiase inhibitor properties UNIVERSIDADE ESTADUAL DE CAMPINAS-UNICAMP (BR) 2007-03-15 US disclosed
WO-2004069145-A2 ANTICANCER COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2004-08-19 WO disclosed
WO-2004013091-A2 4-ANILIDO SUBSTITUTED QUINAZOLINES AND USE THEREOF AS INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR KINASES YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2004-02-12 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 (1 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-20070060600-A1 4-Anilinequinazolines with adenosine-kiase inhibitor properties ADK, AK1, ADORA3 KDR 1289/4885EGFR 3142/4885RET 3198/4885

“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.