SCHEMBL4225836

SCHEMBL4225836

CN(CCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCCC1)C1CCOC1=O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 17/20 0.58
▸ KDR P35968 2/20 0.54
▸ EPHA2 P29317 1/20 0.54
▸ EPHB4 P54760 1/20 0.54
▸ ERBB2 P04626 2/20 0.52
▸ FBP1 P09467 1/20 0.52

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
SCHEMBL4219971 1.00 EGFR (0.58) EGFRKDREPHA2EPHB4ERBB2
SCHEMBL4231069 0.92 EGFR (0.58) EGFRKDREPHA2EPHB4ERBB2
SCHEMBL4232462 0.92 EGFR (0.58) EGFRKDREPHA2EPHB4ERBB2
SCHEMBL4222432 0.91 EGFR (0.70) EGFRKDREPHB4ERBB2FBP1
SCHEMBL4223752 0.91 EGFR (0.70) EGFRKDREPHB4ERBB2FBP1
SCHEMBL4225530 0.87 EGFR (0.57) EGFRKDREPHA2EPHB4ERBB2
SCHEMBL1386754 0.87 EGFR (0.57) EGFRKDREPHA2EPHB4ERBB2
SCHEMBL6988430 0.82 EGFR (0.57) EGFRKDREPHA2EPHB4ERBB2
SCHEMBL5228087 0.82 EGFR (0.61) EGFRKDREPHB4ERBB2
SCHEMBL4224164 0.81 EGFR (0.74) EGFRKDREPHA2EPHB4ERBB2

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 6 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
EP-1163227-B1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA (DE) 2005-09-28 — — EP 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
EP-1163227-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, AND PROCESSES FOR PREPARING THEM Boehringer Ingelheim Pharma KG (DE) 2001-12-19 — — EP disclosed
WO-2000055141-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-21 — — 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 (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 2063/4885KDR 3805/4885EPHA2 4344/4885
US-20060063752-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them REN, APC, PKD1 EGFR 2063/4885KDR 3805/4885EPHA2 4344/4885
US-20020177601-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them PKD1, REN, BDKRB1 EGFR 1367/4885KDR 4070/4885EPHA2 4385/4885

“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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