SCHEMBL3584717

SCHEMBL3584717

CN1CCC(CCCOc2cc3ncnc(Nc4cccc(Br)c4)c3cc2[N+](=O)[O-])CC1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 2/20 0.68
▸ EGFR P00533 17/20 0.65
▸ FGFR1 P11362 1/20 0.52
▸ FLT1 P17948 1/20 0.52
▸ FLT4 P35916 1/20 0.52
▸ KDR P35968 1/20 0.52
▸ EPHA2 P29317 1/20 0.51

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
SCHEMBL3574352 0.96 FBP1 (0.69) FBP1EGFRFGFR1FLT1FLT4
SCHEMBL3582310 0.91 FBP1 (0.71) FBP1EGFRFGFR1FLT1FLT4
SCHEMBL1418046 0.89 FBP1 (0.67) FBP1EGFRFGFR1FLT1FLT4
SCHEMBL1417823 0.88 FBP1 (0.60) FBP1EGFRKDREPHA2
SCHEMBL1417778 0.87 FBP1 (0.63) FBP1EGFRKDR
SCHEMBL3582157 0.86 EGFR (0.62) FBP1EGFRFGFR1FLT1FLT4
SCHEMBL3583792 0.86 EGFR (0.70) FBP1EGFRKDR
SCHEMBL1417871 0.85 FBP1 (0.68) FBP1EGFRFGFR1FLT1FLT4
SCHEMBL3581875 0.85 EGFR (0.63) EGFR
SCHEMBL1417927 0.85 FBP1 (0.61) FBP1EGFRKDREPHA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1731511-B1 Bicyclic heterocycles, medicaments containing these compounds, their use and methods for the production thereof BOEHRINGER INGELHEIM PHARMA (DE) 2015-08-12 — — EP disclosed
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 FBP1 2206/4885EGFR 100/4885FGFR1 70/4885
US-20120329778-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM RET, ROR1, JAK1 FBP1 2206/4885EGFR 100/4885FGFR1 70/4885
US-20020169180-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them CYP11B1, ROR1, RET FBP1 1125/4885EGFR 75/4885FGFR1 55/4885
US-20070185091-A1 Bicyclic Heterocycles, Pharmaceutical Compositions Containing These Compounds, Their Use and Processes for Preparing Them RET, ROR1, JAK1 FBP1 2206/4885EGFR 100/4885FGFR1 70/4885

“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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