SCHEMBL14923949

SCHEMBL14923949

NC(=O)c1cc(F)c(NCc2ccccn2)nc1Nc1ccc2ncccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.49
AURKA O14965 1/20 0.44
RPS6KB1 P23443 1/20 0.44
JAK3 P52333 1/20 0.43
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CSNK2A1 P68400 1/20 0.41
NPC1 O15118 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
PABPC1 P11940 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MET P08581 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL14929786 0.87 SYK (0.49) SYKALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL14908667 0.86 SYK (0.52) SYKALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL14909181 0.86 SYK (0.52) SYKAURKAALDH1A1CYP1A2CYP3A4
SCHEMBL14923851 0.85 SYK (0.52) SYKAURKAALDH1A1CYP1A2CYP3A4
SCHEMBL14923893 0.85 SYK (0.50) SYKAURKARPS6KB1JAK3ALDH1A1
SCHEMBL14908605 0.84 SYK (0.47) SYKAURKARPS6KB1JAK3ALDH1A1
SCHEMBL14910475 0.84 SYK (0.47) SYKAURKAJAK3ALDH1A1CYP1A2
SCHEMBL14923941 0.84 SYK (0.55) SYKALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL14929798 0.84 SYK (0.54) SYKALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL14910871 0.84 SYK (0.49) SYKALDH1A1CYP1A2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-8809371-B2 2014-08-19 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
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 (1 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 1/4885AURKA 2975/4885RPS6KB1 671/4885

“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.