SCHEMBL4966099

SCHEMBL4966099

O=[N+]([O-])c1cc2c(Nc3cc(Cl)c(Cl)cc3F)ncnc2cc1OCCOCCF

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.54
KDR P35968 13/20 0.52
FLT1 P17948 3/20 0.49
FGFR1 P11362 2/20 0.49
FLT4 P35916 2/20 0.49
FGFR2 P21802 1/20 0.49
FGFR4 P22455 1/20 0.49
FGFR3 P22607 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.44
FBP1 P09467 1/20 0.44
ERBB2 P04626 1/20 0.44

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
SCHEMBL5122720 0.94 EGFR (0.53) EGFRKDRFLT1FGFR1FLT4
SCHEMBL4983345 0.94 EGFR (0.53) EGFRKDRFLT1FGFR1FLT4
SCHEMBL4968855 0.94 EGFR (0.53) EGFRKDRFLT1FGFR1FLT4
SCHEMBL5112446 0.89 EGFR (0.52) EGFRKDRFLT1FGFR1FLT4
SCHEMBL5112698 0.89 EGFR (0.52) EGFRKDRFLT1FGFR1FLT4
SCHEMBL5122610 0.89 EGFR (0.52) EGFRKDRFLT1FGFR1FLT4
SCHEMBL4578311 0.84 EGFR (0.58) EGFRKDRFLT1FGFR1FLT4
SCHEMBL5108934 0.84 EGFR (0.59) EGFRKDRFLT1FGFR1FLT4
SCHEMBL5112677 0.84 EGFR (0.59) EGFRKDRFLT1FGFR1FLT4
SCHEMBL4578209 0.83 EGFR (0.58) EGFRKDRFLT1FGFR1FLT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461166-B2 Anilinoquinazolinyl amide derivatives; radiolabels as bioprobes for Positron Emission Tomography and Single Photon Emission Computed Tomography, and as radiopharmaceuticals for radiotherapy; improved solubility, bioavailability, biostability HADASIT MEDICAL RESEARCH SERVICES AND DEVELOPMENT LTD. (IL) 2013-06-11 US disclosed
EP-1957468-A2 POLYALKYLENE GLYCOL DERIVATIVES OF 4 - (PHENYLAMINO)QUINAZOLINES USEFUL AS IRREVERSIBLE INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE T.K. Signal Ltd. (IL) 2008-08-20 EP disclosed
US-20080056990-A1 Polyalkylene glycol derivatives of inhibitors of epidermal growth factor receptor tyrosine kinase T.K. SIGNAL LTD. (IL) 2008-03-06 US disclosed
WO-2007029251-A2 POLYALKYLENE GLYCOL DERIVATIVES OF 4- (PHENYLAMINO)QUINAZOLINES USEFUL AS IRREVERSIBLE INHIBITORS OF EPIDERMAL GR0WTH FACT0R RECEPTOR TYROSINE KINASE T.K. SIGNAL LTD. (IL) 2007-03-15 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 (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-20080056990-A1 Polyalkylene glycol derivatives of inhibitors of epidermal growth factor receptor tyrosine kinase EGFR, TK1, ERBB2 EGFR 1/4885KDR 8/4885FLT1 11/4885

“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.