SCHEMBL13006609

SCHEMBL13006609

[2H]C([2H])([2H])Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 16/20 0.71
▸ KDR P35968 4/20 0.71
▸ FBP1 P09467 2/20 0.71
▸ ERBB2 P04626 2/20 0.71
▸ AURKA O14965 1/20 0.71
▸ INSR P06213 1/20 0.71
▸ PDGFRB P09619 1/20 0.71
▸ FLT4 P35916 1/20 0.71
▸ CLK1 P49759 1/20 0.71
▸ EPHB4 P54760 1/20 0.71
▸ TEK Q02763 1/20 0.71
▸ AURKB Q96GD4 1/20 0.71
▸ RAF1 P04049 1/20 0.66
▸ BRAF P15056 1/20 0.66
▸ RET P07949 2/20 0.62
▸ KIF5B P33176 2/20 0.62
▸ RIPK2 O43353 1/20 0.62
▸ NOD1 Q9Y239 1/20 0.62
▸ ERBB4 Q15303 1/20 0.59
▸ ERBB3 P21860 1/20 0.58

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
SCHEMBL30124192 0.93 EGFR (0.83) EGFRKDRFBP1ERBB2AURKA
SCHEMBL8383 0.93 EGFR (0.83) EGFRKDRFBP1ERBB2AURKA
SCHEMBL29679736 0.93 EGFR (0.83) EGFRKDRFBP1ERBB2AURKA
Hydrochloric Acid SCHEMBL28040041 0.92 EGFR (0.81) EGFRKDRFBP1ERBB2AURKA
Hydrochloric Acid SCHEMBL27915151 0.91 EGFR (0.80) EGFRKDRFBP1ERBB2AURKA
SCHEMBL3238800 0.88 EGFR (0.83) EGFRKDRFBP1ERBB2AURKA
Acetic Acid SCHEMBL29234690 0.88 EGFR (0.75) EGFRKDRFBP1ERBB2AURKA
SCHEMBL3238953 0.86 FBP1 (0.84) EGFRKDRFBP1ERBB2AURKA
SCHEMBL13006602 0.85 EGFR (0.71) EGFRKDRFBP1ERBB2AURKA
Hydrochloric Acid SCHEMBL3722776 0.84 EGFR (0.70) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855204-B2 Derivatives of gefitinib CONCERT PHARMACEUTICALS INC. (US) 2010-12-21 — — US disclosed
US-20100143295-A1 QUINAZOLINE INHIBITORS OF EGFR TYROSINE KINASE AUSPEX PHARMACEUTICALS, INC. (US) 2010-06-10 — — US disclosed
US-20090185999-A1 DERIVATIVES OF GEFITINIB CONCERT PHARMACEUTICALS INC. (US) 2009-07-23 — — 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 (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-20090185999-A1 DERIVATIVES OF GEFITINIB ABL1, EGFR, ERBB2 EGFR 2/4885KDR 108/4885FBP1 3213/4885
US-20100143295-A1 QUINAZOLINE INHIBITORS OF EGFR TYROSINE KINASE EGFR, ABL1, ERBB2 EGFR 1/4885KDR 82/4885FBP1 2653/4885

“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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