SCHEMBL14923893

SCHEMBL14923893

NC(=O)c1cc(F)c(NCc2cccnc2)nc1Nc1ccc2ncccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.50
NAMPT P43490 2/20 0.48
RPS6KB1 P23443 3/20 0.46
AURKA O14965 2/20 0.46
JAK2 O60674 1/20 0.45
JAK3 P52333 1/20 0.45
CSNK2A1 P68400 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
PABPC1 P11940 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
AKT1 P31749 1/20 0.42
VNN1 O95497 2/20 0.41
PTK2 Q05397 2/20 0.41
STAT6 P42226 1/20 0.41

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 0.91 SYK (0.49) SYKHDAC6MAPTMEN1KMT2A
SCHEMBL14923949 0.85 SYK (0.49) SYKRPS6KB1AURKAJAK3CSNK2A1
SCHEMBL14910311 0.85 SYK (0.48) SYKHDAC6MAPTMEN1KMT2A
SCHEMBL14908667 0.85 SYK (0.52) SYKMAPTMEN1KMT2AALDH1A1
SCHEMBL14909181 0.85 SYK (0.52) SYKAURKAHDAC6MAPTMEN1
SCHEMBL14909989 0.84 SYK (0.49) SYKAURKAMAPTMEN1KMT2A
SCHEMBL14909991 0.84 SYK (0.49) SYKAURKAMAPTMEN1KMT2A
SCHEMBL14923851 0.84 SYK (0.52) SYKAURKAHDAC6MAPTMEN1
SCHEMBL14908625 0.83 SYK (0.48) SYKHDAC6MAPTMEN1PABPC1
SCHEMBL14908605 0.83 SYK (0.47) SYKRPS6KB1AURKAJAK3HDAC6

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 1/4885NAMPT 12/4885RPS6KB1 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.