SCHEMBL564259

SCHEMBL564259

[c]1nc(N2CCCC2)c[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.37
CASP4 P49662 1/20 0.37
CASP5 P51878 1/20 0.37
HRH4 Q9H3N8 2/20 0.36
CYP1A2 P05177 1/20 0.34
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPK1 P28482 2/20 0.33
TSHR P16473 1/20 0.33
CASP7 P55210 1/20 0.33
GFER P55789 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
CHRM3 P20309 1/20 0.32

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
SCHEMBL660176 0.98 CYP1A2 (0.37) CASP1CASP4CASP5HRH4CYP1A2
SCHEMBL5102077 0.83 ALDH1A1 (0.43) CASP1CASP4CASP5HRH4CYP1A2
SCHEMBL2363290 0.69 CHKA (0.40) KDM4EALDH1A1MAPTHSD17B10TDP1
SCHEMBL6643440 0.68
SCHEMBL4665338 0.67
SCHEMBL935607 0.62 CYP1A2 (0.39) CASP1CASP4CASP5HRH4CYP1A2
SCHEMBL15552038 0.62 CASP1 (0.38) CASP1CASP4CASP5HRH4CYP1A2
SCHEMBL2424620 0.62 HPGD (0.44) ALDH1A1MAPTTDP1GAASMN1; SMN2
SCHEMBL6577700 0.61 HRH4 (0.39) CASP1CASP4CASP5HRH4CYP1A2
SCHEMBL2992722 0.61 CYP1A2 (0.42) CASP1CASP4CASP5HRH4CYP1A2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors CAPRARO HANS-GEORG 2010-12-02 US claimed
US-6162804-A Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2000-12-19 US claimed
EP-3008056-B1 NOVEL GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-12-09 EP disclosed
EP-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 EP disclosed
EP-3172199-B1 PYRIMIDINE DERIVATIVES AS GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-07-01 EP disclosed
EP-2503395-B1 ELECTROPHOTOGRAPHY TONER SET KONICA MINOLTA BUSINESS TECH (JP) 2018-01-24 EP disclosed
EP-3230276-A1 GLP-1 RECEPTOR MODULATORS Celgene International II Sarl (CH) 2017-10-18 EP disclosed
EP-3172199-A1 NOVEL GLP-1 RECEPTOR MODULATORS Receptos, Inc. (US) 2017-05-31 EP disclosed
WO-2016094729-A1 GLP-1 RECEPTOR MODULATORS CELGENE INTERNATIONAL II SARL (CH) 2016-06-16 WO disclosed
EP-3008056-A1 NOVEL GLP-1 RECEPTOR MODULATORS Receptos, Inc. (US) 2016-04-20 EP disclosed
WO-2016015014-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS, INC. (US) 2016-01-28 WO disclosed
CN-102414199-B Diaryl ethers TIBOTEC PHARM LTD 2014-03-05 CN disclosed
US-8436036-B2 Diaryl ethers JANSSEN R&D IRELAND (IE) 2013-05-07 US disclosed
EP-2503395-A1 TONER SET FOR ELECTROPHOTOGRAPHY Konica Minolta Business Technologies, Inc. (JP) 2012-09-26 EP disclosed
US-20120231385-A1 ELECTROPHOTOGRAPHIC TONER SET KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2012-09-13 US disclosed
CN-102414199-A Diaryl ethers TIBOTEC PHARM LTD 2012-04-11 CN disclosed
EP-2421855-A1 DIARYL ETHERS Tibotec Pharmaceuticals (IE) 2012-02-29 EP disclosed
US-20120034678-A1 Diaryl Ethers JANSSEN SCIENCES IRELAND UC (IE) 2012-02-09 US disclosed
WO-2010122162-A1 DIARYL ETHERS TIBOTEC PHARMACEUTICALS (IE) 2010-10-28 WO disclosed
US-20070093502-A1 5- Or 6-substituted benzimidazole derivatives as inhibitors of respiratory syncytial virus replication BONFANTI JEAN-FRANCOIS 2007-04-26 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 (3 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-20120034678-A1 Diaryl Ethers SLC10A1, CYP2F1, UGT1A1 CASP1 1020/4885CASP4 2866/4885CASP5 2573/4885
US-20070093502-A1 5- Or 6-substituted benzimidazole derivatives as inhibitors of respiratory syncytial virus replication H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SUB1, HYOU1 CASP1 1190/4885CASP4 3035/4885CASP5 2627/4885
US-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors PI4KA, PIK3CA, PIK3CB CASP1 3558/4885CASP4 3417/4885CASP5 2484/4885

“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.