SCHEMBL4223752

SCHEMBL4223752

COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCN(C)C1CCOC1=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.70
▸ KDR P35968 3/20 0.66
▸ ERBB2 P04626 5/20 0.61
▸ FLT4 P35916 2/20 0.61
▸ EPHB4 P54760 2/20 0.61
▸ AURKA O14965 1/20 0.61
▸ INSR P06213 1/20 0.61
▸ FBP1 P09467 1/20 0.61
▸ PDGFRB P09619 1/20 0.61
▸ CLK1 P49759 1/20 0.61
▸ TEK Q02763 1/20 0.61
▸ AURKB Q96GD4 1/20 0.61
▸ CIT O14578 1/20 0.61
▸ GAK O14976 1/20 0.61
▸ EPHB6 O15197 1/20 0.61
▸ ABCC4 O15439 1/20 0.61
▸ DAPK3 O43293 1/20 0.61
▸ RIPK2 O43353 1/20 0.61
▸ NR1I2 O75469 1/20 0.61
▸ RPS6KA4 O75676 1/20 0.61

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
SCHEMBL4222432 1.00 EGFR (0.70) EGFRKDRERBB2FLT4EPHB4
SCHEMBL4219971 0.91 EGFR (0.58) EGFRKDRERBB2EPHB4FBP1
SCHEMBL4225836 0.91 EGFR (0.58) EGFRKDRERBB2EPHB4FBP1
SCHEMBL4232462 0.91 EGFR (0.58) EGFRKDRERBB2EPHB4FBP1
SCHEMBL4231069 0.91 EGFR (0.58) EGFRKDRERBB2EPHB4FBP1
SCHEMBL1383950 0.85 EGFR (0.70) EGFRKDRERBB2FLT4EPHB4
SCHEMBL1384673 0.85 EGFR (0.70) EGFRKDRERBB2FLT4EPHB4
SCHEMBL11113 0.83 EGFR (1.00) EGFRKDRERBB2FLT4EPHB4
SCHEMBL7847974 0.81 EGFR (0.45) EGFRKDRERBB2FLT4EPHB4
SCHEMBL14971221 0.81 EGFR (0.71) EGFRKDRERBB2FLT4EPHB4

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 3805/4885ERBB2 3690/4885
US-20060063752-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them REN, APC, PKD1 EGFR 2063/4885KDR 3805/4885ERBB2 3690/4885
US-20020177601-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them PKD1, REN, BDKRB1 EGFR 1367/4885KDR 4070/4885ERBB2 2817/4885

“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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