SCHEMBL3243771

SCHEMBL3243771

O=[N+]([O-])c1ccc2ncnc(Nc3cc(Cl)c(Cl)cc3F)c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.60
ERBB2 P04626 2/20 0.58
ALK Q9UM73 1/20 0.58
GAA P10253 1/20 0.57
NCOA1 Q15788 1/20 0.57
NCOA3 Q9Y6Q9 1/20 0.57
ALDH1A1 P00352 4/20 0.56
MAPT P10636 4/20 0.56
HTT P42858 4/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
POLB P06746 2/20 0.55
TNF P01375 1/20 0.55
CRHBP P24387 1/20 0.55
MAPK1 P28482 1/20 0.55
CRHR2 Q13324 1/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
NOD2 Q9HC29 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
NOD1 Q9Y239 1/20 0.55

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
SCHEMBL28797756 0.84 EGFR (0.61) EGFRALKGAANCOA1NCOA3
SCHEMBL28797738 0.84 EGFR (0.58) EGFRALKGAANCOA1NCOA3
SCHEMBL156479 0.84 EGFR (0.58) EGFRALKGAANCOA1NCOA3
Hydrochloric Acid SCHEMBL7760844 0.84 EGFR (0.60) EGFRALKGAANCOA1NCOA3
SCHEMBL3244620 0.83 EGFR (0.70) EGFRALKGAANCOA1NCOA3
SCHEMBL31299935 0.83 EGFR (0.68) EGFRERBB2ALKALDH1A1MAPT
SCHEMBL5422743 0.83 EGFR (0.68) EGFRERBB2ALKALDH1A1MAPT
SCHEMBL27819006 0.83 ALK (0.66) EGFRALKALDH1A1MAPTHTT
SCHEMBL3239502 0.82 EGFR (0.59) EGFRERBB2
SCHEMBL3246395 0.79 EGFR (0.69) EGFRERBB2KITBRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2685980-B1 METHODS AND USE OF BIFUNCTIONAL ENZYME-BUILDING CLAMP-SHAPED MOLECULES UNIV PENNSYLVANIA (US) 2017-12-06 EP disclosed
EP-2685980-B1 METHODS AND USE OF BIFUNCTIONAL ENZYME-BUILDING CLAMP-SHAPED MOLECULES UNIV PENNSYLVANIA (US) 2017-12-06 EP disclosed
US-9321759-B2 Methods and use of bifunctional enzyme-building clamp-shaped molecules THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-04-26 US disclosed
US-9321759-B2 Methods and use of bifunctional enzyme-building clamp-shaped molecules THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-04-26 US disclosed
US-9321759-B2 Methods and use of bifunctional enzyme-building clamp-shaped molecules THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-04-26 US disclosed
US-20140309246-A1 METHODS AND USE OF BIFUNCTIONAL ENZYME-BUILDING CLAMP-SHAPED MOLECULES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-10-16 US disclosed
US-20140309246-A1 METHODS AND USE OF BIFUNCTIONAL ENZYME-BUILDING CLAMP-SHAPED MOLECULES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-10-16 US disclosed
US-20140309246-A1 METHODS AND USE OF BIFUNCTIONAL ENZYME-BUILDING CLAMP-SHAPED MOLECULES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-10-16 US disclosed
EP-2685980-A1 METHODS AND USE OF BIFUNCTIONAL ENZYME-BUILDING CLAMP-SHAPED MOLECULES The Trustees Of The University Of Pennsylvania (US) 2014-01-22 EP disclosed
WO-2012125913-A1 METHODS AND USE OF BIFUNCTIONAL ENZYME-BUILDING CLAMP-SHAPED MOLECULES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-09-20 WO 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-20040265228-A1 Radiolabeled irreversible inhibitors of epidermal growth factor receptor tyrosine kinase and their use in radioimaging and radiotherapy HADASIT MEDICAL RESEARCH SERVICES AND DEVELOPMENT LTD. (IL) 2004-12-30 US 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-1411993-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) 2004-04-28 EP disclosed
US-6562319-B2 4-(phenylamino)quinazolines YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2003-05-13 US 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
US-20020128553-A1 Radiolabeled irreversible inhibitors of epidermal growth factor receptor tyrosine kinase and their use in radioimaging and radiotherapy HADASIT MEDICAL RESEARCH SERVICES AND DEVELOPMENT LTD. 2002-09-12 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 (4 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-20020128553-A1 Radiolabeled irreversible inhibitors of epidermal growth factor receptor tyrosine kinase and their use in radioimaging and radiotherapy EGFR, ERBB2, TK1 EGFR 1/4885ERBB2 2/4885ALK 34/4885
US-20140309246-A1 METHODS AND USE OF BIFUNCTIONAL ENZYME-BUILDING CLAMP-SHAPED MOLECULES EGFR, JMJD7, ERBB2 EGFR 1/4885ERBB2 3/4885ALK 990/4885
US-20040265228-A1 Radiolabeled irreversible inhibitors of epidermal growth factor receptor tyrosine kinase and their use in radioimaging and radiotherapy EGFR, ERBB2, TK1 EGFR 1/4885ERBB2 2/4885ALK 34/4885
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 2/4885ALK 24/4885

“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.