SCHEMBL19293607

SCHEMBL19293607

CCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.66
EGFR P00533 19/20 0.62
KDR P35968 2/20 0.62
AURKA O14965 1/20 0.62
ERBB2 P04626 1/20 0.62
INSR P06213 1/20 0.62
PDGFRB P09619 1/20 0.62
FLT4 P35916 1/20 0.62
CLK1 P49759 1/20 0.62
EPHB4 P54760 1/20 0.62
TEK Q02763 1/20 0.62
AURKB Q96GD4 1/20 0.62

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
SCHEMBL17538553 0.95 EGFR (0.64) FBP1EGFRKDRAURKAERBB2
SCHEMBL16212087 0.93 FBP1 (0.76) FBP1EGFRKDRAURKAERBB2
SCHEMBL17538564 0.93 EGFR (0.64) FBP1EGFRKDRAURKAERBB2
SCHEMBL642350 0.93 EGFR (0.64) FBP1EGFRKDRAURKAERBB2
SCHEMBL26082 0.93 EGFR (0.61) FBP1EGFRKDRAURKAERBB2
SCHEMBL15928079 0.93 FBP1 (0.60) FBP1EGFRKDRAURKAERBB2
SCHEMBL4576907 0.93 FBP1 (0.60) FBP1EGFRKDRAURKAERBB2
SCHEMBL15928220 0.93 EGFR (0.61) FBP1EGFRKDRAURKAERBB2
SCHEMBL17538495 0.92 EGFR (0.63) FBP1EGFRKDRAURKAERBB2
SCHEMBL6987785 0.92 EGFR (0.70) FBP1EGFRKDRAURKAERBB2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170247339-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF ARROMAX PHARMATECH CO., LTD. (CN) 2017-08-31 US 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-20170247339-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF WEE1, WEE2, EGFR FBP1 2501/4885EGFR 3/4885KDR 133/4885

“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.