SCHEMBL3585782

SCHEMBL3585782

CN1CCC(COc2cc3ncnc(Nc4cccc(Br)c4)c3cc2N)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 17/20 0.65
▸ EPHA2 P29317 2/20 0.60
▸ RET P07949 2/20 0.60
▸ KDR P35968 4/20 0.59
▸ FGFR1 P11362 3/20 0.59
▸ FLT1 P17948 3/20 0.59
▸ FLT4 P35916 3/20 0.59
▸ ERBB2 P04626 3/20 0.59
▸ PDGFRB P09619 2/20 0.59
▸ TEK Q02763 2/20 0.59
▸ GAK O14976 2/20 0.59
▸ ABL1 P00519 2/20 0.59
▸ SRC P12931 2/20 0.59
▸ EPHB2 P29323 2/20 0.59
▸ MAPK14 Q16539 2/20 0.59
▸ MKNK1 Q9BUB5 2/20 0.59
▸ ABCG2 Q9UNQ0 2/20 0.59
▸ ERBB4 Q15303 2/20 0.59
▸ BMPR1B O00238 1/20 0.59
▸ PLK4 O00444 1/20 0.59

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
SCHEMBL3582417 0.91 EGFR (0.63) EGFREPHA2KDRFGFR1FLT1
SCHEMBL3582157 0.91 EGFR (0.62) EGFREPHA2KDRFGFR1FLT1
SCHEMBL3587949 0.87 EGFR (0.67) EGFREPHA2KDRERBB2GAK
SCHEMBL3582310 0.85 FBP1 (0.71) EGFREPHA2RETKDRFGFR1
SCHEMBL1418358 0.85 EGFR (0.55) EGFREPHA2KDRERBB2GAK
SCHEMBL3587323 0.82 EGFR (0.76) EGFRKDRERBB2
SCHEMBL3583180 0.82 EGFR (0.64) EGFRKDRERBB2
SCHEMBL3583184 0.82 EGFR (0.64) EGFRKDRERBB2
SCHEMBL15876968 0.82 EGFR (0.60) EGFREPHA2RETKDRFGFR1
SCHEMBL2974730 0.80 EGFR (1.00) EGFRRETKDRERBB2GAK

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 100/4885EPHA2 1093/4885RET 1/4885
US-20120329778-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM RET, ROR1, JAK1 EGFR 100/4885EPHA2 1093/4885RET 1/4885
US-20020169180-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them CYP11B1, ROR1, RET EGFR 75/4885EPHA2 1091/4885RET 3/4885
US-20070185091-A1 Bicyclic Heterocycles, Pharmaceutical Compositions Containing These Compounds, Their Use and Processes for Preparing Them RET, ROR1, JAK1 EGFR 100/4885EPHA2 1093/4885RET 1/4885

“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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