SCHEMBL4404243

SCHEMBL4404243

CC(C)(C)OC(=O)NCc1cccc(-n2cccn2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
KDM4E B2RXH2 1/20 0.52
BRD4 O60885 2/20 0.50
PI4KB Q9UBF8 1/20 0.50
MAPK1 P28482 1/20 0.47
GLS O94925 5/20 0.45
NAMPT P43490 3/20 0.44
KLKB1 P03952 1/20 0.44
KLK1 P06870 1/20 0.44
GFER P55789 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CCKBR P32239 1/20 0.43

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
SCHEMBL21583859 0.89 LMNA (0.52) LMNAKDM4EBRD4PI4KBMAPK1
SCHEMBL21583860 0.82 LMNA (0.50) LMNAKDM4EPI4KBGLS
SCHEMBL31067588 0.80 KLKB1 (0.49) BRD4GLSKLKB1GFERHSD17B10
SCHEMBL12643749 0.79 PPID (0.59) LMNAKDM4EPI4KBMAPK1GLS
SCHEMBL26696707 0.78 MAPT (0.43) LMNABRD4GLSGFERHSD17B10
SCHEMBL19796794 0.78 NAMPT (0.53) LMNAKDM4EBRD4NAMPTL3MBTL1
SCHEMBL4239181 0.78 LMNA (0.58) LMNAKDM4EPI4KBMAPK1GLS
SCHEMBL4239185 0.78 LMNA (0.58) LMNAKDM4EPI4KBMAPK1GLS
SCHEMBL15432474 0.77 LMNA (0.53) LMNAKDM4EPI4KBMAPK1GLS
SCHEMBL14367982 0.77 PRMT6 (0.56) KDM4EBRD4GLSNAMPTKLKB1

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-2975027-A1 NICOTINAMIDES AS JAK KINASE MODULATORS Portola Pharmaceuticals, Inc. (US) 2016-01-20 EP disclosed
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 US disclosed
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 US disclosed
US-9102625-B2 Nicotinamides as JAK kinase modulators PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-11 US disclosed
US-9102625-B2 Nicotinamides as JAK kinase modulators PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-11 US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 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-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK LMNA 2451/4885KDM4E 1791/4885BRD4 1433/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK LMNA 2451/4885KDM4E 1791/4885BRD4 1433/4885

“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.