SCHEMBL14909752

SCHEMBL14909752

Cc1ncc(-c2ccccc2)cc1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
CASP1 P29466 1/20 0.61
GSK3B P49841 4/20 0.49
PSMB5 P28074 1/20 0.46
MAP4K4 O95819 3/20 0.45
USP7 Q93009 1/20 0.45
GSK3A P49840 1/20 0.45
NPC1 O15118 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FYN P06241 2/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL27453486 0.81 FYN (0.46) MAPTCASP1MAP4K4NPC1RAB9A
SCHEMBL709795 0.79 MAPT (0.59) MAPTCASP1GSK3BMAP4K4USP7
SCHEMBL18136475 0.79 PSMB5 (0.53) MAPTCASP1GSK3BPSMB5MAP4K4
SCHEMBL14107964 0.79 MAP4K4 (0.44) MAPTCASP1MAP4K4LMNAAURKA
SCHEMBL15717099 0.78 MAPT (0.58) MAPTCASP1GSK3BMAP4K4USP7
Dimethylamine SCHEMBL2972047 0.77 MAPT (0.57) MAPTCASP1GSK3BMAP4K4USP7
SCHEMBL15785404 0.76 MAP4K4 (0.71) MAPTCASP1GSK3BPSMB5MAP4K4
SCHEMBL15910819 0.76 MAPT (0.56) MAPTCASP1GSK3BMAP4K4USP7
SCHEMBL21857207 0.76 MAPT (0.56) MAPTCASP1GSK3BMAP4K4USP7
SCHEMBL10647000 0.76 KDM4E (0.51) MAPTCASP1PSMB5USP7NPC1

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 11 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
CN-102958918-B Novel tobacco amide derivatives or its salt FUJIFILM CORP. (JP) 2015-12-09 CN 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
WO-2014078378-A1 PYRROLIDINYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-05-22 WO 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
CN-102958918-A Novel nicotinamide derivatives or salts thereof FUJIFILM CORP 2013-03-06 CN disclosed
CN-1246319-C Amino (thio) ether derivative MERCK PATENT AG (DE) 2006-03-22 CN disclosed
CN-1130180-A Amino (thio) ether derivative MERCK PATENT AG (DE) 1996-09-04 CN 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 MAPT 4186/4885CASP1 1796/4885GSK3B 1649/4885

“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.