SCHEMBL3588569

SCHEMBL3588569

O=C(C=CCN1CCC(O)CC1)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCC1CC1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.79
ERBB2 P04626 16/20 0.79
ERBB4 Q15303 7/20 0.77
GAK O14976 1/20 0.74
RIPK2 O43353 1/20 0.74
NR1I2 O75469 1/20 0.74
LCK P06239 1/20 0.74
ADORA3 P0DMS8 1/20 0.74
CHRM1 P11229 1/20 0.74
SRC P12931 1/20 0.74
DRD2 P14416 1/20 0.74
ADRA2C P18825 1/20 0.74
SLC6A2 P23975 1/20 0.74
MC3R P41968 1/20 0.74
JAK3 P52333 1/20 0.74
SLC6A3 Q01959 1/20 0.74
PDE4D Q08499 1/20 0.74
KCNH2 Q12809 1/20 0.74
RIPK3 Q9Y572 1/20 0.74

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
SCHEMBL3588567 1.00 EGFR (0.79) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL3589028 0.94 EGFR (0.83) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL3589031 0.94 EGFR (0.83) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL3588540 0.94 EGFR (0.84) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL3588542 0.94 EGFR (0.84) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL5257875 0.93 EGFR (0.78) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL7836044 0.93 EGFR (0.78) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL3573220 0.93 EGFR (0.79) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL3573218 0.93 EGFR (0.79) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL3586590 0.93 EGFR (0.81) EGFRERBB2ERBB4GAKRIPK2

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 100/4885ERBB2 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.