SCHEMBL3582417

SCHEMBL3582417

CN1CCC(CCOc2cc3ncnc(Nc4cccc(Br)c4)c3cc2N)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 17/20 0.63
▸ KDR P35968 3/20 0.60
▸ FGFR1 P11362 2/20 0.60
▸ FLT1 P17948 2/20 0.60
▸ FLT4 P35916 2/20 0.60
▸ FBP1 P09467 4/20 0.55
▸ EPHA2 P29317 1/20 0.55
▸ ERBB2 P04626 3/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ GAK O14976 1/20 0.54
▸ MAPK13 O15264 1/20 0.54
▸ ABL1 P00519 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CDK1 P06493 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ SRC P12931 1/20 0.54
▸ TSHR P16473 1/20 0.54

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
SCHEMBL3582157 0.96 EGFR (0.62) EGFRKDRFGFR1FLT1FLT4
SCHEMBL3585782 0.91 EGFR (0.65) EGFRKDRFGFR1FLT1FLT4
SCHEMBL3574352 0.86 FBP1 (0.69) EGFRKDRFGFR1FLT1FLT4
SCHEMBL3587949 0.86 EGFR (0.67) EGFRKDRFBP1EPHA2ERBB2
SCHEMBL1418388 0.85 EGFR (0.53) EGFRKDRFBP1ERBB2ERBB4
SCHEMBL3576672 0.83 EGFR (0.79) EGFRKDRERBB2
SCHEMBL3584717 0.82 FBP1 (0.68) EGFRKDRFGFR1FLT1FLT4
SCHEMBL1418099 0.82 EGFR (0.53) EGFRKDRFBP1ERBB2ERBB4
SCHEMBL3587131 0.81 EGFR (0.63) EGFRKDRFGFR1FLT1FLT4
SCHEMBL2998290 0.80 EGFR (0.70) EGFRKDRERBB2SRC

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 100/4885KDR 765/4885FGFR1 70/4885
US-20120329778-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM RET, ROR1, JAK1 EGFR 100/4885KDR 765/4885FGFR1 70/4885
US-20020169180-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them CYP11B1, ROR1, RET EGFR 75/4885KDR 1135/4885FGFR1 55/4885
US-20070185091-A1 Bicyclic Heterocycles, Pharmaceutical Compositions Containing These Compounds, Their Use and Processes for Preparing Them RET, ROR1, JAK1 EGFR 100/4885KDR 765/4885FGFR1 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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