SCHEMBL7003725

SCHEMBL7003725

O=C1CC(N2CCN(CCOc3cc4ncnc(Nc5ccc(F)c(Cl)c5)c4cc3[N+](=O)[O-])CC2)CO1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.56
CIT O14578 1/20 0.51
GAK O14976 1/20 0.51
EPHB6 O15197 1/20 0.51
ABCC4 O15439 1/20 0.51
DAPK3 O43293 1/20 0.51
RIPK2 O43353 1/20 0.51
NR1I2 O75469 1/20 0.51
RPS6KA4 O75676 1/20 0.51
STK17B O94768 1/20 0.51
STK10 O94804 1/20 0.51
PRKD3 O94806 1/20 0.51
ABCB11 O95342 1/20 0.51
MAP4K4 O95819 1/20 0.51
CHEK2 O96017 1/20 0.51
ABL1 P00519 1/20 0.51
ERBB2 P04626 1/20 0.51
LCK P06239 1/20 0.51
LYN P07948 1/20 0.51
RET P07949 1/20 0.51

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
SCHEMBL7001064 0.97 EGFR (0.58) EGFRCITGAKEPHB6ABCC4
SCHEMBL7571326 0.96 EGFR (0.56) EGFRCITGAKEPHB6ABCC4
SCHEMBL7000606 0.89 EGFR (0.59) EGFRCITGAKEPHB6ABCC4
SCHEMBL5229340 0.87 EGFR (0.60) EGFRCITGAKEPHB6ABCC4
SCHEMBL5226023 0.86 EGFR (0.60) EGFRCITGAKEPHB6ABCC4
SCHEMBL5230564 0.86 EGFR (0.60) EGFRCITGAKEPHB6ABCC4
SCHEMBL3471800 0.85 EGFR (0.58) EGFRCITGAKEPHB6ABCC4
SCHEMBL28447992 0.85 EGFR (0.74) EGFRCITGAKEPHB6ABCC4
SCHEMBL7009642 0.85 EGFR (0.72) EGFRCITGAKEPHB6ABCC4
SCHEMBL5226343 0.85 EGFR (0.72) EGFRCITGAKEPHB6ABCC4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1315716-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-06-04 EP disclosed
US-20020082270-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-06-27 US disclosed
WO-2002018370-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-03-07 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-20020082270-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases MAP3K1, MAP3K19, MAP3K20 EGFR 165/4885CIT 468/4885GAK 237/4885

“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.