SCHEMBL4034209

SCHEMBL4034209

C#Cc1cc(N)ccc1OCc1cc(C)on1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.43
EPHA2 P29317 1/20 0.37
KDR P35968 1/20 0.37
TLR7 Q9NYK1 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
TTK P33981 1/20 0.36
CLK1 P49759 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK2 Q92630 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
PTGER1 P34995 1/20 0.36
ACACB O00763 2/20 0.35
CNR2 P34972 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
NOX1 Q9Y5S8 1/20 0.35
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33

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
SCHEMBL4001505 0.82 NOS1 (0.50) NOS1EPHA2KDRTLR7ALOX5AP
SCHEMBL3809625 0.80 EPHA2 (0.46) NOS1EPHA2KDRTLR7ALOX5AP
SCHEMBL4001936 0.80 NOS1 (0.46) NOS1EPHA2KDRTLR7ALOX5AP
SCHEMBL4000218 0.75 ACACB (0.48) NOS1TLR7ALOX5APFEN1TTK
SCHEMBL4034116 0.74 NOS3 (0.40) NOS1EPHA2KDRDYRK1ANOX1
SCHEMBL2808093 0.73 MAPT (0.54) MAPTKDM4EUSP2ALDH1A1
SCHEMBL1155022 0.72 NPC1 (0.58) NOS1TLR7MAPTRECQLPPARG
SCHEMBL14777516 0.69 ALDH1A1 (0.48) NOS1MKNK2ALDH1A1
SCHEMBL620498 0.68 F10 (0.42) NOS1EPHA2KDRTLR7ALOX5AP
SCHEMBL4034496 0.68 MRGPRX4 (0.40) EPHA2KDRPTGER1KDM4EUSP2

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 NOS1 1543/4885EPHA2 485/4885KDR 75/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 NOS1 2356/4885EPHA2 506/4885KDR 33/4885

“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.