SCHEMBL4594831

SCHEMBL4594831

Nc1ccc2ncnc(Nc3ccccc3I)c2c1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.70
ERBB2 P04626 3/20 0.56
AHR P35869 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RAF1 P04049 1/20 0.49
BRAF P15056 1/20 0.49

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
SCHEMBL4586679 0.83 EGFR (0.70) EGFRERBB2ALDH1A1CYP1A2CYP2D6
SCHEMBL3250690 0.82 EGFR (0.64) EGFRERBB2ALDH1A1CYP1A2CYP2D6
SCHEMBL29690398 0.81 EGFR (1.00) EGFRERBB2AHRCYP1A2RAF1
SCHEMBL30513 0.81 EGFR (1.00) EGFRERBB2AHRCYP1A2RAF1
SCHEMBL4586872 0.78 EGFR (0.80) EGFRERBB2AHR
SCHEMBL2103341 0.77 EGFR (0.82) EGFRERBB2ALDH1A1
SCHEMBL2987644 0.76 EGFR (0.61) EGFRERBB2AHRALDH1A1CYP1A2
SCHEMBL7116313 0.76 RET (0.73) EGFR
SCHEMBL7766135 0.74 FGFR1 (0.62) EGFRERBB2RAF1BRAF
SCHEMBL4586685 0.74 EGFR (0.75) EGFRERBB2ALDH1A1

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 1/4885ERBB2 2/4885AHR 2226/4885

“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.