SCHEMBL4221978

SCHEMBL4221978

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCC1CCNCC1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.73
AURKA O14965 1/20 0.68
ERBB2 P04626 1/20 0.68
INSR P06213 1/20 0.68
FBP1 P09467 1/20 0.68
PDGFRB P09619 1/20 0.68
FLT4 P35916 1/20 0.68
KDR P35968 1/20 0.68
CLK1 P49759 1/20 0.68
EPHB4 P54760 1/20 0.68
TEK Q02763 1/20 0.68
AURKB Q96GD4 1/20 0.68

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
SCHEMBL1446018 0.85 EGFR (0.79) EGFRAURKAERBB2INSRFBP1
SCHEMBL22336801 0.85 EGFR (0.79) EGFRAURKAERBB2INSRFBP1
SCHEMBL29731422 0.85 EGFR (0.98) EGFRERBB2FLT4KDREPHB4
SCHEMBL4222431 0.85 EGFR (0.98) EGFRERBB2FLT4KDREPHB4
SCHEMBL28387145 0.85 EPHA2 (0.72) EGFRERBB2FLT4KDREPHB4
SCHEMBL14092460 0.85 EGFR (0.92) EGFRAURKAERBB2INSRFBP1
SCHEMBL28907231 0.85 EGFR (0.84) EGFRAURKAERBB2INSRFBP1
SCHEMBL5412843 0.85 EGFR (0.84) EGFRAURKAERBB2INSRFBP1
SCHEMBL31491085 0.85 EGFR (0.85) EGFRAURKAERBB2INSRFBP1
SCHEMBL30207668 0.85 EGFR (0.85) EGFRAURKAERBB2INSRFBP1

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 2063/4885AURKA 2705/4885ERBB2 3690/4885
US-20060063752-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them REN, APC, PKD1 EGFR 2063/4885AURKA 2705/4885ERBB2 3690/4885
US-20020177601-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them PKD1, REN, BDKRB1 EGFR 1367/4885AURKA 2568/4885ERBB2 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.