SCHEMBL6991014

SCHEMBL6991014

CC(=O)Oc1cc2ncnc(O)c2cc1O[C@H]1CCOC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 3/20 0.45
EPHA2 P29317 1/20 0.45
KDR P35968 1/20 0.45
EPHB4 P54760 1/20 0.45
EGFR P00533 18/20 0.44
KCNH2 Q12809 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41

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
SCHEMBL7219213 1.00 ERBB2 (0.45) ERBB2EPHA2KDREPHB4EGFR
SCHEMBL7218840 0.88 ERBB2 (0.49) ERBB2EPHA2KDREPHB4EGFR
SCHEMBL6984548 0.88 ERBB2 (0.49) ERBB2EPHA2KDREPHB4EGFR
SCHEMBL5231086 0.85 EPHA2 (0.43) ERBB2EPHA2KDREPHB4EGFR
SCHEMBL6992855 0.83 ERBB2 (0.43) ERBB2EPHA2KDREPHB4EGFR
SCHEMBL7219940 0.83 ERBB2 (0.43) ERBB2EPHA2KDREPHB4EGFR
SCHEMBL7226125 0.77 EGFR (0.73) ERBB2EGFR
SCHEMBL6989651 0.77 EGFR (0.73) ERBB2EGFR
SCHEMBL5230842 0.76 KDR (0.43) ERBB2EPHA2KDREPHB4EGFR
SCHEMBL217338 0.76 PDE10A (0.52) KDREGFR

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
US-6656946-B2 For treating diseases, particularly tumoral diseases, diseases of the lungs and respiratory tract BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-12-02 US disclosed
EP-1315705-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM ZENTRALE GMBH (DE) 2003-06-04 EP disclosed
US-20020082271-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-06-27 US disclosed
WO-2002018351-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-20020082271-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases MAP3K1, MAP3K19, MAP3K20 ERBB2 25/4885EPHA2 1142/4885KDR 500/4885

“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.