SCHEMBL4968393

SCHEMBL4968393

O=[N+]([O-])c1cc2c(Nc3cccc(I)c3)ncnc2cc1F

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.67
FBP1 P09467 2/20 0.54
ERBB2 P04626 1/20 0.53
ERBB4 Q15303 1/20 0.53
ABCG2 Q9UNQ0 2/20 0.51

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
SCHEMBL26321 0.87 EGFR (0.64) EGFRFBP1ERBB2ABCG2
SCHEMBL2988532 0.87 EGFR (0.59) EGFRFBP1ERBB2ABCG2
SCHEMBL6506351 0.87 EGFR (0.67) EGFRFBP1ERBB2
SCHEMBL1418279 0.87 EGFR (0.77) EGFRFBP1
SCHEMBL27456951 0.84 EGFR (0.58) EGFRFBP1ABCG2
SCHEMBL29614991 0.84 EGFR (0.58) EGFRFBP1ERBB2ERBB4ABCG2
SCHEMBL1766082 0.84 EGFR (0.58) EGFRFBP1ERBB2ERBB4ABCG2
SCHEMBL159918 0.82 EGFR (0.52) EGFRFBP1ABCG2
SCHEMBL30638113 0.82 ABCG2 (0.54) EGFRFBP1ABCG2
SCHEMBL160194 0.82 ABCG2 (0.54) EGFRFBP1ABCG2

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 1/4885FBP1 1341/4885ERBB2 3/4885

“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.