SCHEMBL4586680

SCHEMBL4586680

O=[N+]([O-])c1cc2c(Nc3ccccc3)ncnc2cc1OCCCN1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.61
SRC P12931 4/20 0.61
AURKA O14965 4/20 0.61
AURKB Q96GD4 4/20 0.61
KDR P35968 3/20 0.61
ROCK2 O75116 1/20 0.61
ALDH1A1 P00352 1/20 0.61
LCK P06239 1/20 0.61
FYN P06241 1/20 0.61
RET P07949 1/20 0.61
MET P08581 1/20 0.61
MAPT P10636 1/20 0.61
PDGFRA P16234 1/20 0.61
LTK P29376 1/20 0.61
TTK P33981 1/20 0.61
MAP2K2 P36507 1/20 0.61
MAP2K1 Q02750 1/20 0.61
BTK Q06187 1/20 0.61
TYRO3 Q06418 1/20 0.61
TNK2 Q07912 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
SCHEMBL2994995 0.91 EGFR (0.68) EGFRSRCKDR
SCHEMBL2985878 0.91 EGFR (0.68) EGFRSRCKDRBRAF
SCHEMBL29087952 0.86 KDR (0.56) EGFRSRCAURKAAURKBKDR
SCHEMBL5675006 0.86 EGFR (0.75) EGFRSRCAURKBKDRLCK
SCHEMBL25217367 0.85 EGFR (0.60) EGFRSRCKDRLCKRET
SCHEMBL4594191 0.84 SRC (0.66) EGFRSRCAURKAAURKBKDR
SCHEMBL13529060 0.84 SRC (0.84) EGFRSRCAURKAAURKBKDR
SCHEMBL12694411 0.83 EGFR (0.66) EGFRSRCAURKAAURKBKDR
SCHEMBL30638093 0.83 KDR (0.54) EGFRSRCKDR
SCHEMBL29087947 0.83 KDR (0.54) EGFRSRCKDR

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 4 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

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 1/4885SRC 28/4885AURKA 103/4885

“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.