SCHEMBL3581875

SCHEMBL3581875

CN1CCC(CCCOc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2[N+](=O)[O-])CC1

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.63

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
SCHEMBL1418035 0.89 EGFR (0.56) EGFR
SCHEMBL15090813 0.87 EGFR (0.71) EGFR
SCHEMBL3579524 0.87 EGFR (0.68) EGFR
SCHEMBL3581669 0.86 EGFR (0.68) EGFR
SCHEMBL15090624 0.86 EGFR (0.69) EGFR
SCHEMBL18633108 0.85 EGFR (0.69) EGFR
SCHEMBL15112826 0.85 EGFR (0.69) EGFR
SCHEMBL15112807 0.85 EGFR (0.69) EGFR
SCHEMBL15090653 0.85 EGFR (0.71) EGFR
SCHEMBL3590411 0.85 EGFR (0.71) EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722694-B2 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2014-05-13 US disclosed
US-20120329778-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2012-12-27 US disclosed
US-20100069414-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-03-18 US disclosed
US-20070185091-A1 Bicyclic Heterocycles, Pharmaceutical Compositions Containing These Compounds, Their Use and Processes for Preparing Them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-08-09 US disclosed
US-7220750-B2 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-05-22 US disclosed
EP-1731511-A1 BicyclischeI heterocycles, medicaments containing these compounds, their use and methods for the production thereof Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2006-12-13 EP disclosed
US-20020169180-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-11-14 US disclosed
EP-1194418-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND METHODS FOR THE PRODUCTION THEREOF Boehringer Ingelheim Pharma KG (DE) 2002-04-10 EP disclosed
WO-2000078735-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-12-28 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 (4 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-20100069414-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM RET, ROR1, JAK1 EGFR 100/4885
US-20120329778-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM RET, ROR1, JAK1 EGFR 100/4885
US-20020169180-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them CYP11B1, ROR1, RET EGFR 75/4885
US-20070185091-A1 Bicyclic Heterocycles, Pharmaceutical Compositions Containing These Compounds, Their Use and Processes for Preparing Them RET, ROR1, JAK1 EGFR 100/4885

“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.