SCHEMBL5485634

SCHEMBL5485634

COc1cc2ncnc(Nc3ccc(N(C)C)cc3)c2cc1OC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.76
EGFR P00533 16/20 0.74
KDR P35968 8/20 0.74
LCK P06239 5/20 0.74
RET P07949 3/20 0.72
RIPK2 O43353 2/20 0.72
FLT1 P17948 1/20 0.72
GAK O14976 1/20 0.72
STK10 O94804 1/20 0.72
FLT3 P36888 1/20 0.72
JAK3 P52333 1/20 0.72
AAK1 Q2M2I8 1/20 0.72
Q6ZSR9 Q6ZSR9 1/20 0.72
SLK Q9H2G2 1/20 0.72
IRAK4 Q9NWZ3 1/20 0.72
RPS6KA6 Q9UK32 1/20 0.72
ALK Q9UM73 1/20 0.72
CLK1 P49759 1/20 0.71
ABCG2 Q9UNQ0 1/20 0.71
EPHB2 P29323 1/20 0.66

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
SCHEMBL5485599 0.86 MAPK14 (0.74) EGFRKDRLCKRETFLT1
SCHEMBL5467825 0.85 EGFR (1.00) EGFRKDRLCKRETRIPK2
SCHEMBL3533221 0.85 EGFR (0.80) EGFRKDRLCKRETRIPK2
SCHEMBL5473778 0.85 EGFR (0.80) EGFRKDRLCKRETRIPK2
SCHEMBL5472599 0.85 EGFR (1.00) EGFRKDRLCKRETRIPK2
SCHEMBL22299727 0.84 EGFR (0.76) EGFRKDRLCKRETRIPK2
SCHEMBL24262974 0.84 EGFR (0.66) EGFRKDRLCKRETRIPK2
SCHEMBL5477771 0.84 KDR (1.00) EGFRKDRLCKRETRIPK2
SCHEMBL1387182 0.84 EGFR (0.94) EGFRKDRLCKRETRIPK2
Whi-P131 SCHEMBL29295 0.84 EGFR (1.00) EGFRKDRLCKRETRIPK2

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 3 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 claimed
EP-1737832-B1 4-ANILINOQUINAZOLINE DERIVATIVES WITH ADENOSINE-KINASE INHIBITORY PROPERTIES UNICAMP (BR) 2011-12-14 EP claimed
US-20070060600-A1 4-Anilinequinazolines with adenosine-kiase inhibitor properties UNIVERSIDADE ESTADUAL DE CAMPINAS-UNICAMP (BR) 2007-03-15 US claimed

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 KDM1A 782/4885EGFR 3142/4885KDR 1289/4885

“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.