SCHEMBL14910034

SCHEMBL14910034

COC[C@@H](Nc1nc(Cl)c(C#N)cc1F)[C@H](C)N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.44
JAK2 O60674 3/20 0.34
JAK3 P52333 3/20 0.34
SCN10A Q9Y5Y9 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
LIMK1 P53667 1/20 0.32
LIMK2 P53671 1/20 0.32
XDH P47989 1/20 0.31
KDM4E B2RXH2 2/20 0.31
GAA P10253 2/20 0.31
ALDH1A1 P00352 2/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
CLK1 P49759 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CRHR1 P34998 1/20 0.31
PKM P14618 1/20 0.31
PGK1 P00558 1/20 0.30

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
SCHEMBL16165070 0.91 KHK (0.42) KHKJAK2JAK3SCN10ALIMK1
SCHEMBL14928541 0.87 KHK (0.47) KHKJAK2JAK3LIMK1LIMK2
SCHEMBL16164464 0.83 KHK (0.36) KHKJAK2JAK3IRAK4LIMK1
SCHEMBL3382152 0.83 KHK (0.43) KHKJAK2JAK3SCN10ALIMK1
SCHEMBL15081501 0.82 KHK (0.42) KHKJAK2JAK3LIMK1LIMK2
SCHEMBL16165493 0.82 KHK (0.42) KHKJAK2JAK3LIMK1LIMK2
SCHEMBL3389612 0.81 KHK (0.51) KHKJAK2JAK3SCN10ALIMK1
SCHEMBL14923561 0.81 KHK (0.51) KHKJAK2JAK3SCN10ALIMK1
SCHEMBL14909031 0.81 KHK (0.51) KHKJAK2JAK3SCN10ALIMK1
SCHEMBL14911090 0.81 KHK (0.48) KHKJAK2JAK3LIMK1LIMK2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2589592-B1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM CORP (JP) 2018-08-22 EP disclosed
US-9051310-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2015-06-09 US disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
EP-2799431-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM Corporation (JP) 2014-11-05 EP disclosed
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2014-10-16 US disclosed
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2014-10-16 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8772320-B2 2014-07-08 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP 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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK KHK 2008/4885JAK2 28/4885JAK3 302/4885
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, BTK, NOX4 KHK 1750/4885JAK2 16/4885JAK3 101/4885

“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.