SCHEMBL4861269

SCHEMBL4861269

CCNC(=O)NCc1cccc(N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.53
ROCK2 O75116 2/20 0.49
ROCK1 Q13464 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
PPID Q08752 2/20 0.44
PPIB P23284 1/20 0.44
PPIA P62937 1/20 0.44
PPIG Q13427 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MMP8 P22894 1/20 0.43
HDAC1 Q13547 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
SCHEMBL29738559 0.92 NAMPT (0.59) NAMPTROCK2ROCK1SMN1; SMN2ALDH1A1
SCHEMBL15939311 0.92 NAMPT (0.59) NAMPTROCK2ROCK1SMN1; SMN2ALDH1A1
SCHEMBL4864527 0.87 PTPN1 (0.60) NAMPTALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL13853440 0.85 NAMPT (0.54) NAMPTROCK2ROCK1SMN1; SMN2ALDH1A1
SCHEMBL24892808 0.83 NAMPT (0.52) NAMPTROCK2ROCK1SMN1; SMN2ALDH1A1
SCHEMBL19323059 0.82 AOC3 (0.49) NAMPTSMN1; SMN2ALDH1A1CYP1A2CYP2D6
SCHEMBL15440645 0.82 PTPN1 (0.50) SMN1; SMN2PPIDALDH1A1MAPTHPGD
SCHEMBL2036271 0.82 PPID (0.71) NAMPTROCK2ROCK1SMN1; SMN2PPID
SCHEMBL2368296 0.81 KIF11 (0.53) NAMPTROCK2ROCK1ALDH1A1CYP1A2
SCHEMBL1231292 0.81 CYP1A2 (0.65) NAMPTROCK2ROCK1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 US disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
WO-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
US-7384963-B2 2′-Methyl-5-(1,3,4-oxadiazol-2-yl)1, 1′-biphenyl-4-carboxaide derivatives and their use as p38 kinase GLAXO GROUP LIMITED (GB) 2008-06-10 US disclosed
US-20040266839-A1 2'-Methyl-5-(1,3,4-oxadiazol-2-yl)1,1'-biphenyl-4-carboxaide derivatives and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2004-12-30 US disclosed
EP-1435949-A1 2' -METHYL-5-(1,3,4-OXADIAZOL-2-YL)-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-14 EP disclosed
WO-2003032986-A1 2' -METHYL-5-(1,3,4-OXADIAZOL-2-YL)-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 WO 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 (6 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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK NAMPT 3598/4885ROCK2 80/4885ROCK1 82/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK NAMPT 2866/4885ROCK2 258/4885ROCK1 225/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK NAMPT 3598/4885ROCK2 80/4885ROCK1 82/4885
US-20040266839-A1 2'-Methyl-5-(1,3,4-oxadiazol-2-yl)1,1'-biphenyl-4-carboxaide derivatives and their use as p38 kinase inhibitors MAPK1, MAPK3, MAPK6 NAMPT 4616/4885ROCK2 151/4885ROCK1 100/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK NAMPT 3545/4885ROCK2 84/4885ROCK1 90/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK NAMPT 3545/4885ROCK2 84/4885ROCK1 90/4885

“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.