SCHEMBL4445788

SCHEMBL4445788

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1C=O

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 17/20 0.78
▸ KDR P35968 2/20 0.78
▸ FBP1 P09467 2/20 0.78
▸ ERBB2 P04626 2/20 0.78
▸ AURKA O14965 1/20 0.78
▸ INSR P06213 1/20 0.78
▸ PDGFRB P09619 1/20 0.78
▸ FLT4 P35916 1/20 0.78
▸ CLK1 P49759 1/20 0.78
▸ EPHB4 P54760 1/20 0.78
▸ TEK Q02763 1/20 0.78
▸ AURKB Q96GD4 1/20 0.78
▸ ERBB3 P21860 1/20 0.66
▸ DUS2 Q9NX74 1/20 0.66
▸ ERBB4 Q15303 1/20 0.65
▸ RAF1 P04049 1/20 0.63
▸ BRAF P15056 1/20 0.63

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
SCHEMBL2099106 0.88 EGFR (1.00) EGFRKDRFBP1ERBB2AURKA
SCHEMBL30505605 0.88 EGFR (1.00) EGFRKDRFBP1ERBB2AURKA
Hydrochloric Acid SCHEMBL27887194 0.87 EGFR (0.98) EGFRKDRFBP1ERBB2AURKA
SCHEMBL18862875 0.86 EGFR (0.75) EGFRKDRFBP1ERBB2AURKA
SCHEMBL8213640 0.85 EGFR (0.85) EGFRKDRFBP1ERBB2AURKA
SCHEMBL7814811 0.85 EGFR (0.89) EGFRKDRFBP1ERBB2AURKA
SCHEMBL7807648 0.85 EGFR (0.89) EGFRKDRFBP1ERBB2AURKA
SCHEMBL8208160 0.84 EGFR (0.83) EGFRKDRFBP1ERBB2AURKA
SCHEMBL26876 0.84 EGFR (0.83) EGFRKDRFBP1ERBB2AURKA
SCHEMBL8383 0.84 EGFR (0.83) EGFRKDRFBP1ERBB2AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7632840-B2 Quinazoline compounds for the treatment of hyperproliferative disorders ASTRAZENECA AB (SE) 2009-12-15 — — US disclosed
EP-1713781-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2008-11-05 — — EP disclosed
US-20080234263-A1 Quinazoline Derivatives ASTRAZENECA (SE) 2008-09-25 — — US disclosed
US-20070293490-A1 Quinazoline Derivatives ASTRAZENECA AB (SE) 2007-12-20 — — US disclosed
EP-1713781-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2006-10-25 — — EP disclosed
EP-1664030-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2006-06-07 — — EP disclosed
WO-2005075439-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-08-18 — — WO disclosed
WO-2005026156-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-03-24 — — 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-20080234263-A1 Quinazoline Derivatives EGFR, ERBB2, ERBB3 EGFR 1/4885KDR 137/4885FBP1 3229/4885
US-20070293490-A1 Quinazoline Derivatives CCNA1, CCND3, CCND2 EGFR 1579/4885KDR 2264/4885FBP1 3564/4885

“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.

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