SCHEMBL14928237

SCHEMBL14928237

CCCOc1ncc(NC(=O)OC(C)(C)C)cc1F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.43
RORC P51449 4/20 0.41
NAMPT P43490 1/20 0.39
MAPKAPK2 P49137 4/20 0.39
AR P10275 1/20 0.38
CYP17A1 P05093 1/20 0.38
SREBF2 Q12772 1/20 0.37
EGFR P00533 1/20 0.37
ITK Q08881 1/20 0.37
FAAH O00519 3/20 0.36
EGLN2 Q96KS0 2/20 0.36

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
SCHEMBL14923665 0.90 SYK (0.47) SYKRORCNAMPTMAPKAPK2AR
SCHEMBL14923668 0.89 SYK (0.42) SYKRORCNAMPTARCYP17A1
SCHEMBL14923559 0.84 SYK (0.46) SYKRORCNAMPTARCYP17A1
SCHEMBL17633202 0.83 SYK (0.45) SYKRORCNAMPTMAPKAPK2AR
SCHEMBL14923659 0.81 MAPKAPK2 (0.43) SYKRORCNAMPTMAPKAPK2AR
SCHEMBL15081332 0.79 SYK (0.45) SYKRORCNAMPTMAPKAPK2AR
SCHEMBL29813612 0.79 SYK (0.45) SYKRORCNAMPTMAPKAPK2AR
SCHEMBL30152279 0.78 SYK (0.47) SYKRORC
SCHEMBL1700502 0.78 GRM4 (0.49) RORC
SCHEMBL30004261 0.78 SYK (0.44) SYKRORCNAMPTMAPKAPK2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK SYK 1/4885RORC 492/4885NAMPT 12/4885
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, BTK, NOX4 SYK 1/4885RORC 1407/4885NAMPT 8/4885

“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.