SCHEMBL2994995

SCHEMBL2994995

O=[N+]([O-])c1cc2c(Nc3cccc(Br)c3)ncnc2cc1OCCCN1CCOCC1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.68
ERBB2 P04626 1/20 0.68
FBP1 P09467 1/20 0.67
SRC P12931 1/20 0.61
KDR P35968 1/20 0.61

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
SCHEMBL4586680 0.91 EGFR (0.61) EGFRSRCKDR
SCHEMBL2985878 0.90 EGFR (0.68) EGFRERBB2FBP1SRCKDR
SCHEMBL1418195 0.90 FBP1 (0.67) EGFRERBB2FBP1
SCHEMBL1418418 0.86 FBP1 (0.68) EGFRFBP1
SCHEMBL2998290 0.86 EGFR (0.70) EGFRERBB2SRCKDR
SCHEMBL1417908 0.85 FBP1 (0.67) EGFRERBB2FBP1
SCHEMBL1418640 0.85 FBP1 (0.67) EGFRERBB2FBP1KDR
SCHEMBL1419947 0.85 FBP1 (0.67) EGFRERBB2FBP1
SCHEMBL1417707 0.85 FBP1 (0.67) EGFRERBB2FBP1KDR
SCHEMBL25217367 0.84 EGFR (0.60) EGFRERBB2SRCKDR

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786131-B2 Anticancer agents; restenosis; atherosclerosis; skin disorders WARNER-LAMBERT COMPANY (US) 2010-08-31 US disclosed
EP-1411993-B1 RADIOLABELED IRREVERSIBLE INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE AND THEIR USE IN RADIOIMAGING AND RADIOTHERAPY YISSUM RES DEV CO (IL) 2010-05-05 EP disclosed
EP-0892789-B2 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER LAMBERT CO (US) 2009-11-18 EP disclosed
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
EP-1411993-A4 RADIOLABELED IRREVERSIBLE INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE AND THEIR USE IN RADIOIMAGING AND RADIOTHERAPY YISSUM RES DEV CO (IL) 2007-08-01 EP disclosed
US-7172749-B2 Radiolabeled irreversible inhibitors of epidermal growth factor receptor tyrosine kinase and their use in radioimaging and radiotherapy YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2007-02-06 US disclosed
EP-1673110-A2 RADIOLABELED ANILINOQUINAZOLINES AND THEIR USE IN RADIOIMAGING AND RADIOTHERAPY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2006-06-28 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-2005023315-A2 RADIOLABELED ANILINOQUINAZOLINES AND THEIR USE IN RADIOIMAGING AND RADIOTHERAPY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2005-03-17 WO disclosed
US-6602863-B1 Irreversible inhibitors of tyrosine kinases WARNER-LAMBERT COMPANY 2003-08-05 US disclosed
EP-1131304-B1 N- 4-(3-CHLORO-4-FLUORO-PHENYLAMINO)-7-(3-MORPHOLIN-4-YL-PROPOXY)-QUINAZOLIN-6-YL]-ACRYLAMIDE, AN IRREVERSIBLE INHIBITOR OF TYROSINE KINASES WARNER LAMBERT CO (US) 2002-12-04 EP disclosed
WO-2002073235-A2 RADIOLABELED IRREVERSIBLE INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE AND THEIR USE IN RADIOIMAGING AND RADIOTHERAPY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2002-09-19 WO disclosed
EP-0892789-B1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER LAMBERT CO (US) 2002-02-27 EP disclosed
US-6344455-B1 TREATING CANCER, ATHEROSCLEROSIS, RESTENOSIS, ENDOMETRIOSIS, AND PSORIASIS WARNER-LAMBERT COMPANY 2002-02-05 US disclosed
US-6344459-B1 TREATING CANCER, RESTENOSIS, ATHEROSCLEROSIS, ENDOMETRIOSIS, AND PSORIASIS WARNER-LAMBERT COMPANY 2002-02-05 US disclosed
EP-1131304-A1 N- 4-(3-CHLORO-4-FLUORO-PHENYLAMINO)-7-(3-MORPHOLIN-4-YL-PROPOXY)-QUINAZOLIN-6-YL]-ACRYLAMIDE, AN IRREVERSIBLE INHIBITOR OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 2001-09-12 EP disclosed
WO-2000031048-A1 N-[4-(3-CHLORO-4-FLUORO-PHENYLAMINO)-7-(3-MORPHOLIN-4-YL-PROPOXY)-QUINAZOLIN-6-YL]-ACRYLAMIDE, AN IRREVERSIBLE INHIBITOR OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 2000-06-02 WO disclosed
EP-0892789-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-01-27 EP disclosed
WO-1997038983-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1997-10-23 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 EGFR 1/4885ERBB2 2/4885FBP1 1559/4885

“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.