SCHEMBL171593

SCHEMBL171593

O=Cc1cccc(-c2cccc(C3=CCCNC3)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.40
HTR2A P28223 6/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
BRD4 O60885 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
AXL P30530 1/20 0.34
TRIM24 O15164 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
NPY5R Q15761 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
DYRK1A Q13627 2/20 0.33
DYRK2 Q92630 2/20 0.33
DYRK1B Q9Y463 2/20 0.33

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
SCHEMBL171358 0.73 HTR2A (0.41) HTR2AADRA2AADRA2BCHRM2CHRM3
SCHEMBL169474 0.70 HTR2A (0.41) HTR2AADRA2AADRA2BCHRM2CHRM3
SCHEMBL29814719 0.68 HTR2A (0.37) HTR2AADRA2AADRA2BCHRM2CHRM3
SCHEMBL23089359 0.68 HTR2A (0.37) HTR2AADRA2AADRA2BCHRM2CHRM3
SCHEMBL171143 0.67 CHRM2 (0.40) HTR2AADRA2AADRA2BCHRM2CHRM3
SCHEMBL23554749 0.67 CHRM2 (0.40) HTR2AADRA2AADRA2BCHRM2CHRM3
SCHEMBL13203601 0.67 CYP19A1 (0.51) CDK8BRD4AXLTRIM24TRIM33
SCHEMBL8482987 0.67 CDK8 (0.47) CDK8BRD4AXLTRIM24TRIM33
SCHEMBL4175163 0.65 ACMSD (0.43) CDK8BRD4TRIM24TRIM33NPY5R
SCHEMBL18002536 0.65 CDK8 (0.43) CDK8BRD4TRIM24TRIM33CA12

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-8530662-B2 Pyridyltetrahydropyridines and pyridylpiperidines, and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2013-09-10 US disclosed
US-8530662-B2 Pyridyltetrahydropyridines and pyridylpiperidines, and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2013-09-10 US disclosed
EP-2426120-A1 Pyridyltetrahydropyridines and pyridylpiperidines, and method of manufacturing them Fujifilm Finechemicals Co., Ltd. (JP) 2012-03-07 EP disclosed
US-20100029947-A1 Pyridyltetrahydropyridines and Pyridylpiperidines, and Method of Manufacturing Them FUJIFILM FINECHEMICALS CO., LTD 2010-02-04 US disclosed
US-20100029947-A1 Pyridyltetrahydropyridines and Pyridylpiperidines, and Method of Manufacturing Them FUJIFILM FINECHEMICALS CO., LTD 2010-02-04 US disclosed
US-7632950-B2 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2009-12-15 US disclosed
US-7632950-B2 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2009-12-15 US disclosed
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2007-04-26 US disclosed
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 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 (2 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-20100029947-A1 Pyridyltetrahydropyridines and Pyridylpiperidines, and Method of Manufacturing Them QDPR, HRH4, HRH2 CDK8 3273/4885HTR2A 177/4885ADRA2A 186/4885
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them QDPR, HRH4, HRH2 CDK8 3243/4885HTR2A 160/4885ADRA2A 143/4885

“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.