SCHEMBL913617

SCHEMBL913617

NC(=O)c1cnc(Nc2cccc(NC(=O)N3CCOCC3)c2)cc1NCc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 8/20 0.54
IRAK4 Q9NWZ3 4/20 0.54
TYK2 P29597 3/20 0.54
JAK2 O60674 2/20 0.54
JAK1 P23458 2/20 0.54
AURKA O14965 2/20 0.53
RPS6KB1 P23443 2/20 0.53
CSF1R P07333 2/20 0.51
BTK Q06187 1/20 0.51
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
STAT6 P42226 4/20 0.43
AURKB Q96GD4 1/20 0.43
NAMPT P43490 1/20 0.43

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
SCHEMBL914353 0.93 JAK3 (0.56) JAK3IRAK4TYK2JAK2JAK1
SCHEMBL914786 0.89 AURKA (0.55) JAK3IRAK4TYK2JAK2JAK1
SCHEMBL913864 0.84 JAK3 (0.49) JAK3IRAK4TYK2JAK2JAK1
SCHEMBL913865 0.84 JAK3 (0.49) JAK3IRAK4TYK2JAK2JAK1
SCHEMBL2474595 0.84 STAT6 (0.60) JAK3IRAK4TYK2JAK2JAK1
SCHEMBL914146 0.84 JAK3 (0.69) JAK3IRAK4TYK2JAK2JAK1
SCHEMBL913068 0.83 JAK3 (0.62) JAK3IRAK4TYK2JAK2JAK1
SCHEMBL913616 0.82 RAB9A (0.43) AURKARPS6KB1MEN1GAAKMT2A
SCHEMBL914828 0.81 JAK3 (0.51) JAK3IRAK4TYK2JAK2JAK1
SCHEMBL914114 0.81 JAK3 (0.51) JAK3IRAK4TYK2JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130137673-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 US claimed
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 US claimed
EP-2975027-A1 NICOTINAMIDES AS JAK KINASE MODULATORS Portola Pharmaceuticals, Inc. (US) 2016-01-20 EP disclosed
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 US disclosed
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 US disclosed
US-9102625-B2 Nicotinamides as JAK kinase modulators PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-11 US disclosed
US-9102625-B2 Nicotinamides as JAK kinase modulators PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-11 US disclosed
US-8853230-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-07 US disclosed
US-8853230-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-07 US disclosed
US-8853230-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-07 US disclosed
US-20130137673-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 US disclosed
US-8367689-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-8367689-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-8367689-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
WO-2010129802-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-11 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-20130137673-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 JAK3 3/4885IRAK4 48/4885TYK2 6/4885
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK JAK3 4/4885IRAK4 37/4885TYK2 7/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 JAK3 3/4885IRAK4 48/4885TYK2 6/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK JAK3 4/4885IRAK4 37/4885TYK2 7/4885

“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.