SCHEMBL14910048

SCHEMBL14910048

COCCOc1ncc(N(C(=O)O)C(C)(C)C)cc1F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
HPGD P15428 2/20 0.37
MAPK1 P28482 6/20 0.37
ABL1 P00519 2/20 0.37
HTT P42858 2/20 0.35
EGFR P00533 5/20 0.34
ITK Q08881 3/20 0.34
KMT2A Q03164 1/20 0.34
JAK2 O60674 1/20 0.33
LYN P07948 1/20 0.33
TEC P42680 1/20 0.33
TXK P42681 1/20 0.33
BMX P51813 1/20 0.33
JAK3 P52333 1/20 0.33
BTK Q06187 1/20 0.33
CD69 Q07108 1/20 0.33
DGAT1 O75907 2/20 0.33
PTGS2 P35354 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL14909691 0.86 SLC13A5 (0.34) KDM4EMAPK1ABL1KMT2ADGAT1
SCHEMBL14909257 0.85 PIK3CA (0.35) DGAT1
SCHEMBL14910274 0.75 GRM5 (0.34)
SCHEMBL14908756 0.74 HCAR3 (0.43) KDM4EHPGDMAPK1ABL1HTT
SCHEMBL16165722 0.74 EGFR (0.41) KDM4EHPGDMAPK1ABL1HTT
SCHEMBL17633223 0.72 USP2 (0.33) KDM4EKMT2AALDH1A1
SCHEMBL14923668 0.72 SYK (0.42) KDM4EHPGDMAPK1ABL1EGFR
SCHEMBL23834707 0.70 CHEK2 (0.43) KDM4EHPGDMAPK1ABL1HTT
SCHEMBL10076888 0.70 ABL1 (0.43) KDM4EHPGDMAPK1ABL1HTT
SCHEMBL14910857 0.70 HDAC4 (0.35)

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 6 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-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 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
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 KDM4E 2420/4885HPGD 1481/4885MAPK1 334/4885

“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.