SCHEMBL4594191

SCHEMBL4594191

Nc1cc2c(Nc3ccccc3)ncnc2cc1OCCCN1CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 6/20 0.66
KDR P35968 4/20 0.65
EGFR P00533 10/20 0.65
AURKA O14965 5/20 0.63
AURKB Q96GD4 4/20 0.63
LCK P06239 2/20 0.63
RET P07949 2/20 0.63
MET P08581 2/20 0.63
MAPT P10636 2/20 0.63
LTK P29376 2/20 0.63
TNK2 Q07912 2/20 0.63
MAP4K5 Q9Y4K4 2/20 0.63
ROCK2 O75116 1/20 0.63
ALDH1A1 P00352 1/20 0.63
FYN P06241 1/20 0.63
PDGFRA P16234 1/20 0.63
TTK P33981 1/20 0.63
MAP2K2 P36507 1/20 0.63
MAP2K1 Q02750 1/20 0.63
BTK Q06187 1/20 0.63

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
SCHEMBL2998290 0.90 EGFR (0.70) SRCKDREGFRERBB2
SCHEMBL2991319 0.90 EGFR (0.71) SRCKDREGFRLCKRET
SCHEMBL5369287 0.90 SRC (0.65) SRCKDREGFRLCKRET
SCHEMBL13529060 0.88 SRC (0.84) SRCKDREGFRAURKAAURKB
SCHEMBL29087945 0.85 KDR (0.60) SRCKDREGFRAURKAAURKB
SCHEMBL12694411 0.85 EGFR (0.66) SRCKDREGFRAURKAAURKB
SCHEMBL2963866 0.85 EGFR (0.80) SRCKDREGFRAURKBLCK
SCHEMBL4586680 0.84 EGFR (0.61) SRCKDREGFRAURKAAURKB
SCHEMBL23406671 0.84 EGFR (0.68) SRCKDREGFRAURKBLCK
SCHEMBL29944978 0.84 EGFR (0.68) SRCKDREGFRAURKBLCK

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 SRC 28/4885KDR 18/4885EGFR 1/4885

“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.