SCHEMBL3247474

SCHEMBL3247474

CCCCNc1cnc(C(=O)OC)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.51
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
PCSK9 Q8NBP7 1/20 0.41
MAPK1 P28482 1/20 0.41
RIPK1 Q13546 1/20 0.40
CNR2 P34972 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
TLR8 Q9NR97 1/20 0.38
KDM6B O15054 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
EPHX2 P34913 1/20 0.37

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
SCHEMBL882196 0.84 HCAR3 (0.46) HCAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL872368 0.83 HCAR3 (0.55) HCAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL21427078 0.83 MAPK1 (0.42) HCAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL2909361 0.76 CHEK1 (0.44) PCSK9
SCHEMBL68869 0.76 MAPK1 (0.63) PCSK9MAPK1
SCHEMBL17974338 0.75 MAPK1 (0.44) PCSK9MAPK1KDM4C
SCHEMBL24671953 0.74 HCAR3 (0.44) HCAR3MAPK1RIPK1CNR2CHRNB2
SCHEMBL3252224 0.74 TLR8 (0.40) HCAR3MAPK1RIPK1NPC1RAB9A
SCHEMBL12248211 0.74 MAPK1 (0.42) MAPK1KDM4C
SCHEMBL29283386 0.74 MAPK1 (0.49) PCSK9MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2076499-B1 PYRAZINE-2-CARBOXAMIDE DERIVATIVES AS CB2 RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2010-05-12 EP disclosed
US-7691863-B2 Pyrazine-2-carboxamide derivatives as CB2 receptor modulators HOFFMAN-LA ROCHE INC. (US) 2010-04-06 US disclosed
EP-2076499-A2 PYRAZINE-2-CARBOXAMIDE DERIVATIVES AS CB2 RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2009-07-08 EP disclosed
US-20080085905-A1 Pyrazine-2-carboxamide derivatives F. HOFFMAN-LA ROCHE AG (CH) 2008-04-10 US disclosed
WO-2008040649-A2 PYRAZINE-2-CARBOXAMIDE DERIVATIVES AS CB2 RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-04-10 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 (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-20080085905-A1 Pyrazine-2-carboxamide derivatives CNR2, CNR1, P2RY2 HCAR3 47/4885HDAC3 412/4885HDAC1 729/4885

“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.