SCHEMBL774794

SCHEMBL774794

N/C(=N\O)c1ccc2[nH]ncc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.51
RAB9A P51151 2/20 0.51
ROCK1 Q13464 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
KMT2A Q03164 1/20 0.51
HIF1A Q16665 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CTNNB1 P35222 6/20 0.49
WNT3A P56704 6/20 0.49
NOS1 P29475 3/20 0.47
METAP2 P50579 1/20 0.47
CSNK2A1 P68400 1/20 0.47
GSK3B P49841 3/20 0.44
PIM1 P11309 2/20 0.44
AURKB Q96GD4 2/20 0.44

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
SCHEMBL774795 1.00 ROCK2 (0.51) ROCK2RAB9AROCK1KDM4EMEN1
SCHEMBL12601125 1.00 ROCK2 (0.51) ROCK2RAB9AROCK1KDM4EMEN1
SCHEMBL12652750 0.87 MAPT (0.51) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL4402322 0.87 MAPT (0.51) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL4399578 0.87 ROCK2 (0.51) ROCK2RAB9AROCK1KDM4EMEN1
Hydrochloric Acid SCHEMBL4401176 0.85 ROCK2 (0.50) ROCK2RAB9AROCK1KDM4EMEN1
SCHEMBL264383 0.80 RAB9A (0.57) ROCK2RAB9AROCK1KDM4EMEN1
SCHEMBL264384 0.80 RAB9A (0.57) ROCK2RAB9AROCK1KDM4EMEN1
SCHEMBL5355484 0.79 ROCK2 (0.55) ROCK2RAB9AROCK1KDM4EMEN1
SCHEMBL1419814 0.79 AR (0.63) ROCK2RAB9AROCK1KDM4EMEN1

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250165-B1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2018-07-25 EP disclosed
EP-2440554-B1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS MERCK SERONO SA (CH) 2016-10-05 EP disclosed
EP-2440554-B1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS MERCK SERONO SA (CH) 2016-10-05 EP disclosed
EP-2376484-B1 OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS MERCK SERONO SA (CH) 2015-04-22 EP disclosed
US-8802663-B2 Pyrazole oxadiazole derivatives as S1P1 agonists MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-8802663-B2 Pyrazole oxadiazole derivatives as S1P1 agonists MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-8802663-B2 Pyrazole oxadiazole derivatives as S1P1 agonists MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-8741923-B2 Oxadiazole fused heterocyclic derivatives useful for the treatment of multiple sclerosis MERCK SERONO SA (CH) 2014-06-03 US disclosed
US-8741923-B2 Oxadiazole fused heterocyclic derivatives useful for the treatment of multiple sclerosis MERCK SERONO SA (CH) 2014-06-03 US disclosed
US-8741923-B2 Oxadiazole fused heterocyclic derivatives useful for the treatment of multiple sclerosis MERCK SERONO SA (CH) 2014-06-03 US disclosed
US-20100113528-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS GLAXO GROUP LIMITED 2010-05-06 US disclosed
US-20100113528-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS GLAXO GROUP LIMITED 2010-05-06 US disclosed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 US disclosed
WO-2010039947-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-08 WO disclosed
US-7678820-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2010-03-16 US disclosed
US-7678820-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2010-03-16 US disclosed
WO-2009080663-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO S.A. (CH) 2009-07-02 WO disclosed
US-20090076070-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2009-03-19 US disclosed
US-20090076070-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2009-03-19 US disclosed
EP-2003132-A1 HETERO COMPOUND Astellas Pharma Inc. (JP) 2008-12-17 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 (3 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-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1S, CACNA1D ROCK2 1422/4885RAB9A 1812/4885ROCK1 809/4885
US-20090076070-A1 HETERO COMPOUND S1PR1, ENPP2, LPAR1 ROCK2 3068/4885RAB9A 2597/4885ROCK1 1170/4885
US-20100113528-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS S1PR1, S1PR3, S1PR2 ROCK2 942/4885RAB9A 2570/4885ROCK1 573/4885

“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.