SCHEMBL3583792

SCHEMBL3583792

CN1CCC(Oc2cc3ncnc(Nc4cccc(Br)c4)c3cc2[N+](=O)[O-])CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 18/20 0.70
▸ FBP1 P09467 3/20 0.68
▸ ERBB2 P04626 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ GAK O14976 1/20 0.53
▸ MAPK13 O15264 1/20 0.53
▸ ABL1 P00519 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CDK1 P06493 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ SRC P12931 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ EPHB2 P29323 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ KDR P35968 1/20 0.53
▸ MAPK12 P53778 1/20 0.53

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
SCHEMBL3582310 0.88 FBP1 (0.71) EGFRFBP1ERBB2GAKABL1
SCHEMBL1418282 0.88 EGFR (0.69) EGFRFBP1ERBB2KDM4EGAK
SCHEMBL3574352 0.87 FBP1 (0.69) EGFRFBP1KDR
SCHEMBL1418660 0.87 EGFR (0.61) EGFRFBP1ERBB2
SCHEMBL3584717 0.86 FBP1 (0.68) EGFRFBP1KDR
SCHEMBL1418998 0.86 FBP1 (0.64) EGFRFBP1ERBB2ERBB4
SCHEMBL3587949 0.85 EGFR (0.67) EGFRFBP1ERBB2KDM4EGAK
SCHEMBL17940088 0.83 EGFR (1.00) EGFRFBP1ERBB2KDM4EGAK
SCHEMBL3584414 0.80 EGFR (0.74) EGFRERBB2SRCKDRERBB4
SCHEMBL21835412 0.79 EGFR (0.69) EGFRERBB2KDR

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 11 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
EP-0983054-A1 HAIR GROWTH COMPOSITIONS AND USES GPI NIL Holdings, Inc. (US) 2000-03-08 — — EP disclosed
WO-1998055090-A1 HAIR GROWTH COMPOSITIONS AND USES GUILFORD PHARMACEUTICALS INC. (US) 1998-12-10 — — 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 100/4885FBP1 2206/4885ERBB2 57/4885
US-20120329778-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM RET, ROR1, JAK1 EGFR 100/4885FBP1 2206/4885ERBB2 57/4885
US-20020169180-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them CYP11B1, ROR1, RET EGFR 75/4885FBP1 1125/4885ERBB2 31/4885
US-20070185091-A1 Bicyclic Heterocycles, Pharmaceutical Compositions Containing These Compounds, Their Use and Processes for Preparing Them RET, ROR1, JAK1 EGFR 100/4885FBP1 2206/4885ERBB2 57/4885

“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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