SCHEMBL3240234

SCHEMBL3240234

NC(=O)C=Cc1cc2c(Nc3cccc(Br)c3)ncnc2cc1OCCCN1CCOCC1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.70
ERBB2 P04626 3/20 0.70
HDAC3 O15379 2/20 0.62
HDAC1 Q13547 2/20 0.62
HDAC6 Q9UBN7 2/20 0.62
KDR P35968 2/20 0.57
SRC P12931 1/20 0.57
BRAF P15056 1/20 0.56

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
SCHEMBL3246210 0.91 HDAC1 (0.60) EGFRERBB2HDAC3HDAC1HDAC6
Hydrochloric Acid SCHEMBL2052117 0.85 EGFR (0.71) EGFRERBB2KDRSRCBRAF
SCHEMBL3240237 0.84 EGFR (0.70) EGFRERBB2HDAC3HDAC1HDAC6
SCHEMBL2998290 0.84 EGFR (0.70) EGFRERBB2KDRSRC
Hydrochloric Acid SCHEMBL2052116 0.83 EGFR (0.69) EGFRERBB2KDRSRCBRAF
SCHEMBL25249173 0.83 EGFR (0.54) EGFRERBB2HDAC3HDAC1HDAC6
SCHEMBL2995071 0.82 EGFR (1.00) EGFRERBB2KDRSRC
SCHEMBL29519908 0.82 EGFR (1.00) EGFRERBB2KDRSRC
SCHEMBL2994995 0.81 EGFR (0.68) EGFRERBB2KDRSRC
SCHEMBL4231429 0.81 EGFR (0.68) EGFRERBB2HDAC3HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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
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
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

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-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 2/4885HDAC3 2503/4885

“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.