SCHEMBL13090455

SCHEMBL13090455

CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCNCC(C)(C)O

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.74
EGFR P00533 19/20 0.68
KDR P35968 2/20 0.60
AURKA O14965 1/20 0.60
ERBB2 P04626 1/20 0.60
INSR P06213 1/20 0.60
PDGFRB P09619 1/20 0.60
FLT4 P35916 1/20 0.60
CLK1 P49759 1/20 0.60
EPHB4 P54760 1/20 0.60
TEK Q02763 1/20 0.60
AURKB Q96GD4 1/20 0.60

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
SCHEMBL3065191 0.93 EGFR (0.79) FBP1EGFRKDRAURKAERBB2
SCHEMBL13090453 0.92 EGFR (0.75) FBP1EGFRKDRAURKAERBB2
SCHEMBL18655499 0.86 EGFR (0.85) FBP1EGFRKDRAURKAERBB2
SCHEMBL13773436 0.83 EGFR (0.86) FBP1EGFRKDRAURKAERBB2
SCHEMBL13529178 0.83 EGFR (0.89) FBP1EGFRKDRAURKAERBB2
SCHEMBL22336753 0.82 FBP1 (0.92) FBP1EGFRKDRAURKAERBB2
SCHEMBL3238953 0.80 FBP1 (0.84) FBP1EGFRKDRAURKAERBB2
SCHEMBL15206318 0.80 EGFR (1.00) FBP1EGFRKDRAURKAERBB2
SCHEMBL24413953 0.80 EGFR (0.86) FBP1EGFRKDRAURKAERBB2
SCHEMBL15217656 0.80 EGFR (0.90) FBP1EGFRKDRAURKAERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267718-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them HIMMELSBACH FRANK 2010-10-21 US disclosed
US-20100267718-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them HIMMELSBACH FRANK 2010-10-21 US disclosed
US-7196091-B2 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-27 US disclosed
US-7196091-B2 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-27 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 (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-20100267718-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them RET, CYP11B1, CYP11B2 FBP1 882/4885EGFR 471/4885KDR 1302/4885

“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.