SCHEMBL4516428

SCHEMBL4516428

CC(C)(C)OC(=O)NCc1nc(-c2ccncc2)no1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.53
MAPT P10636 2/20 0.51
LATS1 O95835 4/20 0.48
KMT2A Q03164 2/20 0.47
LATS2 Q9NRM7 1/20 0.47
ROCK2 O75116 1/20 0.47
GRK2 P25098 1/20 0.47
ACACB O00763 1/20 0.47
LMNA P02545 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL14679174 0.88 MAPT (0.66) MAPTKMT2AACACBALDH1A1TP53
SCHEMBL29471397 0.87 MAPT (0.61) MAPTKMT2ATP53
SCHEMBL1106583 0.84 MAPT (0.50) MAPTKMT2AACACBLMNAALDH1A1
SCHEMBL8279808 0.84 MAPT (0.50) MAPTKMT2AACACBLMNAALDH1A1
SCHEMBL16375378 0.83 MAPT (0.52) MAPTKMT2AACACBMEN1TP53
SCHEMBL22637957 0.82 KCNT1 (0.46) MAPTKMT2A
SCHEMBL22637461 0.81 KCNT1 (0.45) GPR119MAPTKMT2AACACBALDH1A1
SCHEMBL4789041 0.80 LMNA (0.56) MAPTKMT2AROCK2GRK2LMNA
SCHEMBL29496341 0.80 SPHK1 (0.55) MAPTKMT2AALDH1A1
SCHEMBL4168627 0.80 NAMPT (0.40) GPR119MAPTLATS1KMT2ALATS2

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
US-8207147-B2 Heterocyclic derivatives as GPCR receptor agonists PROSIDION LIMITED (GB) 2012-06-26 US disclosed
US-8207147-B2 Heterocyclic derivatives as GPCR receptor agonists PROSIDION LIMITED (GB) 2012-06-26 US disclosed
US-8207147-B2 Heterocyclic derivatives as GPCR receptor agonists PROSIDION LIMITED (GB) 2012-06-26 US disclosed
US-20090281060-A1 HETEROCYCLIC DERIVATIVES AS GPCR RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2009-11-12 US disclosed
US-20090281060-A1 HETEROCYCLIC DERIVATIVES AS GPCR RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2009-11-12 US disclosed
US-20090281060-A1 HETEROCYCLIC DERIVATIVES AS GPCR RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2009-11-12 US disclosed
WO-2008011557-A2 HETEROARYL INHIBITORS OF RHO KINASE BORCHARDT ALLEN J (US) 2008-01-24 WO disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 US disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 US disclosed
EP-1711491-A1 HETEROCYCLIC DERIVATIVES AS GPCR RECEPTOR AGONISTS Prosidion Limited (GB) 2006-10-18 EP disclosed
WO-2005061489-A1 HETEROCYCLIC DERIVATIVES AS GPCR RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2005-07-07 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 (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-20090281060-A1 HETEROCYCLIC DERIVATIVES AS GPCR RECEPTOR AGONISTS GPR119, GCGR, GLP1R GPR119 1/4885MAPT 4778/4885LATS1 2772/4885
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE ROCK1, ROCK2, RHOA GPR119 3578/4885MAPT 1499/4885LATS1 811/4885

“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.