SCHEMBL5485599

SCHEMBL5485599

COc1cc2ncnc(Nc3cccc(N(C)C)c3)c2cc1OC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.74
EGFR P00533 15/20 0.72
KDR P35968 5/20 0.72
RET P07949 4/20 0.72
SRC P12931 3/20 0.72
MAPT P10636 4/20 0.70
KDM4E B2RXH2 3/20 0.70
MAPK1 P28482 3/20 0.70
FBP1 P09467 3/20 0.70
EPHB2 P29323 2/20 0.70
ABL1 P00519 2/20 0.70
CYP1A2 P05177 2/20 0.70
CYP3A4 P08684 2/20 0.70
CYP2D6 P10635 2/20 0.70
MKNK1 Q9BUB5 2/20 0.70
ERBB2 P04626 2/20 0.70
MAPK13 O15264 2/20 0.70
MAPK12 P53778 2/20 0.70
MAPK11 Q15759 2/20 0.70
ABCG2 Q9UNQ0 2/20 0.70

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
SCHEMBL5485634 0.86 KDM1A (0.76) EGFRKDRRETEPHB2ABCG2
SCHEMBL31060707 0.84 EGFR (1.00) MAPK14EGFRKDRRETSRC
SCHEMBL5569018 0.84 KDR (1.00) MAPK14EGFRKDRRETSRC
SCHEMBL5474772 0.84 KDR (1.00) MAPK14EGFRKDRRETSRC
SCHEMBL5482883 0.84 EGFR (1.00) MAPK14EGFRKDRRETSRC
SCHEMBL29515328 0.83 EGFR (1.00) MAPK14EGFRKDRRETSRC
SCHEMBL1257431 0.83 EGFR (1.00) MAPK14EGFRKDRRETSRC
Hydrochloric Acid SCHEMBL1507643 0.82 KDR (0.97) MAPK14EGFRKDRRETSRC
SCHEMBL13576407 0.82 EGFR (0.75) MAPK14EGFRKDRRETSRC
Hydrochloric Acid SCHEMBL5478587 0.82 EGFR (0.97) MAPK14EGFRKDRRETSRC

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 MAPK14 984/4885EGFR 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.