SCHEMBL2286559

SCHEMBL2286559

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCC(=O)CC1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.78
KDR P35968 6/20 0.73
EPHB4 P54760 4/20 0.73
ERBB2 P04626 3/20 0.73
AURKA O14965 1/20 0.73
INSR P06213 1/20 0.73
FBP1 P09467 1/20 0.73
PDGFRB P09619 1/20 0.73
FLT4 P35916 1/20 0.73
CLK1 P49759 1/20 0.73
TEK Q02763 1/20 0.73
AURKB Q96GD4 1/20 0.73
EPHA2 P29317 3/20 0.69
FLT1 P17948 1/20 0.62

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
SCHEMBL2286735 0.90 EGFR (0.63) EGFRKDREPHB4ERBB2AURKA
SCHEMBL666931 0.90 KDR (0.82) EGFRKDREPHB4ERBB2AURKA
SCHEMBL1446479 0.88 EGFR (0.79) EGFRKDREPHB4ERBB2AURKA
SCHEMBL29623406 0.88 EGFR (0.79) EGFRKDREPHB4ERBB2AURKA
SCHEMBL121215 0.88 EGFR (0.79) EGFRKDREPHB4ERBB2AURKA
SCHEMBL1446018 0.88 EGFR (0.79) EGFRKDREPHB4ERBB2AURKA
SCHEMBL209526 0.88 EGFR (0.79) EGFRKDREPHB4ERBB2AURKA
SCHEMBL1331677 0.88 EGFR (0.79) EGFRKDREPHB4ERBB2AURKA
SCHEMBL209251 0.88 EGFR (0.78) EGFRKDREPHB4ERBB2AURKA
SCHEMBL185721 0.88 EGFR (1.00) EGFRKDREPHB4ERBB2AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998949-B2 Bicyclic heterocycles, drugs containing said compounds, use thereof, and method for production thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-16 US disclosed
US-7998949-B2 Bicyclic heterocycles, drugs containing said compounds, use thereof, and method for production thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-16 US disclosed
US-7998949-B2 Bicyclic heterocycles, drugs containing said compounds, use thereof, and method for production thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-16 US disclosed
US-20100022505-A1 BICYCLIC HETEROCYCLES, DRUGS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-28 US disclosed
US-20100022505-A1 BICYCLIC HETEROCYCLES, DRUGS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-28 US disclosed
US-20100022505-A1 BICYCLIC HETEROCYCLES, DRUGS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-28 US disclosed
WO-2008095847-A1 BICYCLIC HETEROCYCLES, DRUGS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-14 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-20100022505-A1 BICYCLIC HETEROCYCLES, DRUGS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR PRODUCTION THEREOF RET, CYP11B2, CHUK EGFR 244/4885KDR 896/4885EPHB4 2684/4885

“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.