SCHEMBL3246210

SCHEMBL3246210

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.60
HDAC3 O15379 2/20 0.60
HDAC6 Q9UBN7 2/20 0.60
EGFR P00533 14/20 0.58
ERBB2 P04626 1/20 0.58
KDR P35968 3/20 0.57
SRC P12931 3/20 0.57
BRAF P15056 2/20 0.56
AURKA O14965 1/20 0.52
ROCK2 O75116 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LCK P06239 1/20 0.52
FYN P06241 1/20 0.52
RET P07949 1/20 0.52
MET P08581 1/20 0.52
MAPT P10636 1/20 0.52
PDGFRA P16234 1/20 0.52
LTK P29376 1/20 0.52
TTK P33981 1/20 0.52
MAP2K2 P36507 1/20 0.52

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
SCHEMBL3240234 0.91 EGFR (0.70) HDAC1HDAC3HDAC6EGFRERBB2
Hydrochloric Acid SCHEMBL2052117 0.85 EGFR (0.71) EGFRERBB2KDRSRCBRAF
SCHEMBL25249173 0.85 EGFR (0.54) HDAC1HDAC3HDAC6EGFRERBB2
SCHEMBL3246208 0.84 EGFR (0.58) HDAC1HDAC3HDAC6EGFRERBB2
SCHEMBL5369287 0.84 SRC (0.65) HDAC1HDAC3HDAC6EGFRERBB2
Hydrochloric Acid SCHEMBL2052116 0.83 EGFR (0.69) EGFRERBB2KDRSRCBRAF
SCHEMBL3261578 0.82 EGFR (0.84) EGFRERBB2KDRSRCLCK
SCHEMBL25270327 0.80 EGFR (0.55) HDAC1HDAC3HDAC6EGFRKDR
SCHEMBL7233111 0.80 EGFR (0.60) HDAC1HDAC3HDAC6EGFRERBB2
SCHEMBL7244628 0.80 EGFR (0.60) HDAC1HDAC3HDAC6EGFRERBB2

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-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
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 HDAC1 1546/4885HDAC3 2503/4885HDAC6 1423/4885

“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.