SCHEMBL171529

SCHEMBL171529

C=Cc1cccc(C2CCCN(C(=O)OCc3ccccc3)C2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.50
JAK1 P23458 3/20 0.50
TYK2 P29597 2/20 0.50
JAK3 P52333 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
USP30 Q70CQ3 1/20 0.46
CYP2C19 P33261 1/20 0.45
BCL9 O00512 4/20 0.44
CTNNB1 P35222 4/20 0.44
F13A1 P00488 3/20 0.44
TGM2 P21980 3/20 0.44
TGM1 P22735 3/20 0.44
PDE4B Q07343 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GRIN2B Q13224 2/20 0.42
LCK P06239 1/20 0.42

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
SCHEMBL13490667 0.82 JAK2 (0.48) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL13490506 0.81 JAK2 (0.55) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL13490465 0.79 SMN1; SMN2 (0.56) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL171371 0.78 JAK2 (0.48) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL29087342 0.78 SMN1; SMN2 (0.59) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL29333046 0.77 SMN1; SMN2 (0.55) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL29333047 0.77 SMN1; SMN2 (0.55) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL171366 0.77 JAK2 (0.47) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL9962360 0.76 ENPP2 (0.49) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL2876671 0.76 ENPP2 (0.49) JAK2JAK1TYK2JAK3SMN1; SMN2

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 JAK2 2028/4885JAK1 4058/4885TYK2 991/4885
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them QDPR, HRH4, HRH2 JAK2 2058/4885JAK1 4106/4885TYK2 1230/4885

“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.