SCHEMBL4586983

SCHEMBL4586983

NN(c1ccccc1)c1ncnc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.55
KDR P35968 1/20 0.46
ALK Q9UM73 1/20 0.44
CSF1R P07333 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
PARP1 P09874 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
DUSP3 P51452 1/20 0.43
PTPN5 P54829 1/20 0.43
PTPN11 Q06124 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.42
OPRK1 P41145 1/20 0.42
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42

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
SCHEMBL4223913 0.79 EGFR (0.55) EGFRKDRALKKMT2AMEN1
SCHEMBL2993744 0.78 IRAK4 (0.53) EGFRKDRALKKMT2AMEN1
SCHEMBL11093069 0.74 EGFR (0.59) EGFRCSF1RKMT2AMEN1ABCG2
SCHEMBL13584724 0.74 KMT2A (0.64) EGFRKDRALKKMT2AMEN1
Hydrochloric Acid SCHEMBL11086154 0.73 EGFR (0.58) EGFRCSF1RKMT2AMEN1ABCG2
SCHEMBL6986627 0.73 EGFR (0.56) EGFRKDRALKKMT2AMEN1
Water SCHEMBL27920411 0.72 EGFR (0.55) EGFRKDRALKKMT2AMEN1
SCHEMBL7681292 0.72 KDR (0.49) EGFRKDRALKKMT2AMEN1
SCHEMBL11851979 0.72 KDR (0.46) EGFRKDRALKKMT2AMEN1
SCHEMBL1192454 0.71 EGFR (1.00) EGFRALKKMT2AMEN1NPC1

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 1/4885KDR 18/4885ALK 24/4885

“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.