SCHEMBL3585901

SCHEMBL3585901

CC1COCC(C)N1C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.72
ERBB2 P04626 14/20 0.69
ERBB4 Q15303 6/20 0.69
GAK O14976 3/20 0.69
LCK P06239 3/20 0.69
RIPK2 O43353 2/20 0.69
SRC P12931 2/20 0.69
MC3R P41968 2/20 0.69
SLC6A3 Q01959 2/20 0.69
KCNH2 Q12809 2/20 0.69
ABL1 P00519 2/20 0.69
MET P08581 2/20 0.69
PHKG2 P15735 2/20 0.69
BLK P51451 2/20 0.69
IRAK1 P51617 2/20 0.69
DYRK1A Q13627 2/20 0.69
HIPK4 Q8NE63 2/20 0.69
EPHA6 Q9UF33 2/20 0.69
CIT O14578 1/20 0.69
EPHB6 O15197 1/20 0.69

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
SCHEMBL3585902 1.00 EGFR (0.72) EGFRERBB2ERBB4GAKLCK
SCHEMBL3582126 0.95 EGFR (0.69) EGFRERBB2ERBB4GAKLCK
SCHEMBL3576815 0.95 EGFR (0.69) EGFRERBB2ERBB4GAKLCK
SCHEMBL3576817 0.95 EGFR (0.69) EGFRERBB2ERBB4GAKLCK
SCHEMBL3582125 0.95 EGFR (0.69) EGFRERBB2ERBB4GAKLCK
SCHEMBL12936081 0.93 EGFR (0.73) EGFRERBB2ERBB4GAKLCK
SCHEMBL3582863 0.92 EGFR (0.75) EGFRERBB2ERBB4GAKLCK
SCHEMBL3582861 0.92 EGFR (0.75) EGFRERBB2ERBB4GAKLCK
SCHEMBL12936083 0.91 EGFR (0.73) EGFRERBB2ERBB4GAKLCK
SCHEMBL12936085 0.91 EGFR (0.74) EGFRERBB2ERBB4GAKLCK

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 7 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 claimed
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
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

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 100/4885ERBB2 57/4885ERBB4 230/4885
US-20120329778-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM RET, ROR1, JAK1 EGFR 100/4885ERBB2 57/4885ERBB4 230/4885
US-20020169180-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them CYP11B1, ROR1, RET EGFR 75/4885ERBB2 31/4885ERBB4 241/4885
US-20070185091-A1 Bicyclic Heterocycles, Pharmaceutical Compositions Containing These Compounds, Their Use and Processes for Preparing Them RET, ROR1, JAK1 EGFR 100/4885ERBB2 57/4885ERBB4 230/4885

“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.