SCHEMBL4587589

SCHEMBL4587589

INc1ncc2ccccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.44
MAP3K5 Q99683 1/20 0.44
PCSK9 Q8NBP7 1/20 0.44
KDM4E B2RXH2 1/20 0.42
GPR3 P46089 1/20 0.42
EGFR P00533 1/20 0.42
ROCK1 Q13464 1/20 0.40
S1PR3 Q99500 1/20 0.40
CYP1A2 P05177 3/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
ACHE P22303 1/20 0.39
HTR3A P46098 2/20 0.39
HRH4 Q9H3N8 1/20 0.39
PDE10A Q9Y233 1/20 0.38
ACVR1 Q04771 1/20 0.37
NCF1 P14598 2/20 0.36
NOS2 P35228 1/20 0.34

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
SCHEMBL6467426 0.83 MAP3K5 (0.54) FDPSMAP3K5PCSK9KDM4EGPR3
SCHEMBL28028429 0.79 FDPS (0.44) FDPSMAP3K5PCSK9KDM4EGPR3
SCHEMBL28184943 0.79 FDPS (0.48) FDPSMAP3K5PCSK9KDM4EGPR3
SCHEMBL41211 0.79 PCSK9 (0.48) FDPSMAP3K5PCSK9KDM4EGPR3
SCHEMBL2338189 0.79 MAPT (0.46) FDPSMAP3K5PCSK9KDM4EGPR3
SCHEMBL30824524 0.79 NCF1 (0.50) FDPSMAP3K5PCSK9KDM4EGPR3
SCHEMBL30961064 0.79 MAPT (0.46) FDPSMAP3K5PCSK9KDM4EGPR3
SCHEMBL2264548 0.79 NCF1 (0.50) FDPSMAP3K5PCSK9KDM4EGPR3
SCHEMBL31381352 0.76 MAP3K5 (0.60) MAP3K5ROCK1CYP1A2MAPT
SCHEMBL167891 0.76 MAP3K5 (0.60) MAP3K5ROCK1CYP1A2MAPT

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 FDPS 2755/4885MAP3K5 106/4885PCSK9 1658/4885

“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.