SCHEMBL319805

SCHEMBL319805

CNC(C)c1cccc(C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.44
GPR139 Q6DWJ6 1/20 0.43
NAMPT P43490 1/20 0.42
GLA P06280 1/20 0.41
CNR1 P21554 6/20 0.41
S1PR1 P21453 1/20 0.41
CNR2 P34972 3/20 0.40
PFKFB3 Q16875 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
SOS1 Q07889 2/20 0.40
VNN1 O95497 1/20 0.39
ENPP2 Q13822 1/20 0.39
ADRA1D P25100 3/20 0.39
ADRA2B P18089 1/20 0.39
ADRA1A P35348 1/20 0.39

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
SCHEMBL13075567 1.00 LRRK2 (0.44) LRRK2GPR139NAMPTGLACNR1
SCHEMBL25627919 0.81 S1PR1 (0.44) LRRK2GPR139NAMPTGLACNR1
SCHEMBL104898 0.80 GLA (0.46) GPR139GLACNR1S1PR1CNR2
SCHEMBL24688498 0.80 ENPP2 (0.42) GPR139GLACNR1S1PR1CNR2
SCHEMBL25913290 0.80 GPR139 (0.42) LRRK2GPR139NAMPTGLACNR1
SCHEMBL5036229 0.78 GPR139 (0.53) LRRK2GPR139NAMPTCNR1CNR2
SCHEMBL150222 0.77 CNR1 (0.39) LRRK2CNR1S1PR1CNR2
SCHEMBL19256230 0.77 CNR1 (0.40) LRRK2GPR139NAMPTGLACNR1
SCHEMBL4095529 0.77 ENPP2 (0.46) GPR139GLACNR1S1PR1CNR2
SCHEMBL214439 0.77 S1PR1 (0.46) GLACNR1S1PR1CNR2ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020252262-A1 REAGENTS AND METHODS FOR REPLICATION, TRANSCRIPTION, AND TRANSLATION IN SEMI-SYNTHETIC ORGANISMS THE SCRIPPS RESEARCH INSTITUTE (US) 2020-12-17 WO disclosed
EP-2590956-B1 5-(biphenyl-4-yl)-3-phenyl-1,2,4-oxadiazolyl derivatives as ligands on the sphingosine 1-phosphate (S1P) receptors MERCK SERONO SA (CH) 2016-05-04 EP disclosed
CN-103097365-B 5- (biphenyl-4-yl) -3-phenyl-1, 2, 4-oxadiazolyl derivatives as ligands on sphingosine-1-phosphate (S1P) receptors MERCK SERONO S.A. (CH) 2016-02-24 CN disclosed
US-9029405-B2 5-(biphenyl-4-yl)-3-phenyl-1,2,4-oxadiazolyl derivatives as ligands on the sphingosine 1-phosphate(SIP)receptors MERCK SERONO S.A. (CH) 2015-05-12 US disclosed
EP-2590956-A1 5-(BIPHENYL-4-YL)-3-PHENYL-1,2,4-OXADIAZOLYL DERIVATIVES AS LIGANDS ON THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTORS Merck Serono S.A. (CH) 2013-05-15 EP disclosed
US-20130116289-A1 5-(BIPHENYL-4-YL)-3-PHENYL-1,2,4-OXADIAZOLYL DERIVATIVES AS LIGANDS ON THE SPHINGOSINE 1-PHOSPHATE(SIP)RECEPTORS MERCK SERONO S.A. (CH) 2013-05-09 US disclosed
CN-103097365-A 5- (biphenyl-4-yl) -3-phenyl-1, 2, 4-oxadiazolyl derivatives as ligands on sphingosine-1-phosphate (S1P) receptors MERCK SERONO SA 2013-05-08 CN disclosed
WO-2012004287-A1 5-(BIPHENYL-4-YL)-3-PHENYL-1,2,4-OXADIAZOLYL DERIVATIVES AS LIGANDS ON THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTORS MERCK SERONO S.A. (CH) 2012-01-12 WO disclosed
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED (GB) 2007-05-17 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-20130116289-A1 5-(BIPHENYL-4-YL)-3-PHENYL-1,2,4-OXADIAZOLYL DERIVATIVES AS LIGANDS ON THE SPHINGOSINE 1-PHOSPHATE(SIP)RECEPTORS S1PR1, S1PR5, S1PR2 LRRK2 1082/4885GPR139 130/4885NAMPT 2373/4885
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors PDE4B, PDE3B, PDE4A LRRK2 3051/4885GPR139 688/4885NAMPT 1237/4885

“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.