SCHEMBL4220745

SCHEMBL4220745

CC(C)(C)OC(=O)N1CCCC1COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCC1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 12/20 0.62
▸ EPHA2 P29317 6/20 0.56
▸ EPHB4 P54760 6/20 0.56
▸ KDR P35968 5/20 0.56
▸ ERBB2 P04626 6/20 0.54
▸ FBP1 P09467 1/20 0.53

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
SCHEMBL4220743 1.00 EGFR (0.62) EGFREPHA2EPHB4KDRERBB2
SCHEMBL4224699 0.93 ERBB2 (0.59) EGFREPHA2EPHB4KDRERBB2
SCHEMBL4224702 0.93 ERBB2 (0.59) EGFREPHA2EPHB4KDRERBB2
SCHEMBL5226554 0.86 EGFR (0.62) EGFREPHA2EPHB4KDRERBB2
SCHEMBL5228447 0.82 EGFR (0.67) EGFREPHA2EPHB4KDRERBB2
SCHEMBL5230878 0.79 EGFR (0.69) EGFREPHA2EPHB4KDRERBB2
SCHEMBL4225415 0.79 EPHA2 (0.70) EGFREPHA2EPHB4KDRERBB2
SCHEMBL4225418 0.79 EPHA2 (0.70) EGFREPHA2EPHB4KDRERBB2
SCHEMBL4225735 0.79 EPHA2 (0.70) EGFREPHA2EPHB4KDRERBB2
SCHEMBL14971218 0.79 EGFR (0.67) EGFREPHB4KDRERBB2

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
US-20090203683-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, THEIR USE, AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-08-13 — — US disclosed
US-20060063752-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-03-23 — — US disclosed
US-20020177601-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-28 — — US 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 (3 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-20090203683-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, THEIR USE, AND PROCESSES FOR PREPARING THEM REN, APC, PKD1 EGFR 2063/4885EPHA2 4344/4885EPHB4 4012/4885
US-20060063752-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them REN, APC, PKD1 EGFR 2063/4885EPHA2 4344/4885EPHB4 4012/4885
US-20020177601-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them PKD1, REN, BDKRB1 EGFR 1367/4885EPHA2 4385/4885EPHB4 4068/4885

“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.

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