SCHEMBL4587672

SCHEMBL4587672

O=[N+]([O-])c1ccc2ncnc(Nc3ccc(Br)cc3)c2c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.79
EGFR P00533 6/20 0.79
ALDH1A1 P00352 5/20 0.71
MAPT P10636 4/20 0.71
HTT P42858 4/20 0.71
L3MBTL1 Q9Y468 2/20 0.71
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
EIF2AK2 P19525 1/20 0.65
TNF P01375 1/20 0.64
POLB P06746 1/20 0.64
CRHBP P24387 1/20 0.64
MAPK1 P28482 1/20 0.64
CRHR2 Q13324 1/20 0.64
CTDSP1 Q9GZU7 1/20 0.64
NOD2 Q9HC29 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
NOD1 Q9Y239 1/20 0.64
ABCG2 Q9UNQ0 2/20 0.61
KDM4E B2RXH2 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
SCHEMBL18334818 0.91 EGFR (0.77) ALKEGFRALDH1A1MAPTHTT
SCHEMBL3244626 0.88 ALK (0.77) ALKEGFRALDH1A1MAPTHTT
SCHEMBL1192454 0.88 EGFR (1.00) ALKEGFRALDH1A1MAPTHTT
SCHEMBL30552991 0.88 EGFR (1.00) ALKEGFRABCG2
SCHEMBL3244621 0.88 EGFR (1.00) ALKEGFRABCG2
SCHEMBL6663823 0.86 ALK (0.74) ALKEGFRALDH1A1MAPTHTT
SCHEMBL5532975 0.85 ALK (0.76) ALKEGFRALDH1A1MAPTHTT
SCHEMBL17124151 0.84 EGFR (0.84) EGFRALDH1A1MAPTHTTMEN1
SCHEMBL1387227 0.83 EGFR (0.80) ALKEGFRALDH1A1MAPTHTT
SCHEMBL29199908 0.83 ALK (0.70) ALKEGFRALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1594504-A4 NOVEL IRREVERSIBLE INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE AND USES THEREOF FOR THERAPY AND DIAGNOSIS T K SIGNAL LTD (IL) 2008-12-17 EP disclosed
US-20060025430-A1 Novel irreversible inhibitors of epidermal growth factor receptor tyrosine kinase and uses thereof for therapy and diagnosis T.K. SIGNAL LTD. (IL) 2006-02-02 US disclosed
EP-1594504-A2 NOVEL IRREVERSIBLE INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE AND USES THEREOF FOR THERAPY AND DIAGNOSIS T.K. Signal Ltd. (IL) 2005-11-16 EP disclosed
WO-2004064718-A2 IRREVERSIBLE INHIBITORS OF EGF RECEPTOR TYROSINE KINASES AND USES THEREOF T.K. SIGNAL LTD. (IL) 2004-08-05 WO disclosed
EP-1039910-A1 USE OF QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS FOR TREATING COLONIC POLYPS American Cyanamid Company (US) 2000-10-04 EP disclosed
WO-1999024037-A1 USE OF QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS FOR TREATING COLONIC POLYPS AMERICAN CYANAMID COMPANY (US) 1999-05-20 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-20060025430-A1 Novel irreversible inhibitors of epidermal growth factor receptor tyrosine kinase and uses thereof for therapy and diagnosis EGFR, ERBB2, ERBB3 ALK 24/4885EGFR 1/4885ALDH1A1 3537/4885

“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.