SCHEMBL4967207

SCHEMBL4967207

CCOC(=O)N1CCC(Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.75
ERBB2 P04626 8/20 0.75
AURKA O14965 1/20 0.63
INSR P06213 1/20 0.63
FBP1 P09467 1/20 0.63
PDGFRB P09619 1/20 0.63
FLT4 P35916 1/20 0.63
KDR P35968 1/20 0.63
CLK1 P49759 1/20 0.63
EPHB4 P54760 1/20 0.63
TEK Q02763 1/20 0.63
AURKB Q96GD4 1/20 0.63
ERBB4 Q15303 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
SCHEMBL14489877 0.95 FBP1 (0.67) EGFRERBB2FBP1
SCHEMBL14489874 0.94 EGFR (0.80) EGFRERBB2AURKAINSRFBP1
SCHEMBL14489882 0.93 EGFR (0.68) EGFRERBB2FBP1
SCHEMBL14489878 0.92 EGFR (0.69) EGFRERBB2FBP1ERBB4
SCHEMBL5207838 0.91 EGFR (0.71) EGFRERBB2KDREPHB4
SCHEMBL1333601 0.91 EGFR (0.80) EGFRERBB2AURKAINSRFBP1
SCHEMBL29623435 0.90 EGFR (0.74) EGFRERBB2AURKAINSRFBP1
SCHEMBL185426 0.90 EGFR (0.74) EGFRERBB2AURKAINSRFBP1
SCHEMBL121894 0.90 EGFR (0.74) EGFRERBB2AURKAINSRFBP1
SCHEMBL29623525 0.90 EGFR (0.74) EGFRERBB2AURKAINSRFBP1

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
EP-1966189-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-10 EP disclosed
WO-2007068552-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 WO disclosed
WO-2007068552-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 WO disclosed
US-20070135463-A1 Bicyclic heterocycles, drugs containing said compounds, the use thereof and method for preparing same HIMMELSBACH FRANK 2007-06-14 US disclosed
US-20070135463-A1 Bicyclic heterocycles, drugs containing said compounds, the use thereof and method for preparing same HIMMELSBACH FRANK 2007-06-14 US disclosed
US-20070135463-A1 Bicyclic heterocycles, drugs containing said compounds, the use thereof and method for preparing same HIMMELSBACH FRANK 2007-06-14 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-20070135463-A1 Bicyclic heterocycles, drugs containing said compounds, the use thereof and method for preparing same BPHL, CYP11B2, CYP11B1 EGFR 349/4885ERBB2 83/4885AURKA 134/4885

“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.