SCHEMBL5240290

SCHEMBL5240290

OCCC#Cc1cnccn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.41
TLR7 Q9NYK1 2/20 0.39
POLB P06746 1/20 0.37
HAO1 Q9UJM8 2/20 0.34
ASIC3 Q9UHC3 1/20 0.33
MAPK14 Q16539 2/20 0.32
KDM4E B2RXH2 1/20 0.31
NAPRT Q6XQN6 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
HSP90AA1 P07900 1/20 0.31
BAZ2B Q9UIF8 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
TSHR P16473 1/20 0.31
MC4R P32245 1/20 0.31
ADRA1A P35348 1/20 0.31
MC3R P41968 1/20 0.31
CHRNB2 P17787 3/20 0.30
CHRNA4 P43681 3/20 0.30
MELK Q14680 1/20 0.30

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
SCHEMBL29263693 0.87 CHRNB2 (0.40) GRM5TLR7POLBMAPK14KDM4E
SCHEMBL31036005 0.87 CHRNB2 (0.40) GRM5TLR7POLBMAPK14KDM4E
SCHEMBL17567286 0.81 GRM5 (0.45) GRM5TLR7KDM4EHSP90AA1CHRNB2
Biphenyl SCHEMBL27555363 0.80 CYP1A2 (0.37) GRM5TLR7ASIC3MAPK14KDM4E
SCHEMBL16254036 0.78 TLR7 (0.35) GRM5TLR7MAPK14
SCHEMBL31286309 0.76 GRM5 (0.59) GRM5POLBHAO1KDM4ENAPRT
SCHEMBL15870932 0.76 GRM5 (0.59) GRM5POLBHAO1KDM4ENAPRT
SCHEMBL28148504 0.76 GRM5 (0.47) GRM5POLBHAO1KDM4EHSP90AA1
SCHEMBL102810 0.73 GRM5 (0.45) GRM5ASIC3
SCHEMBL31036128 0.73 GRM5 (0.45) GRM5ASIC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9975988-B2 Epoxy resins comprising a pyrazine-containing compound 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-05-22 US disclosed
US-9975988-B2 Epoxy resins comprising a pyrazine-containing compound 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-05-22 US disclosed
US-20160068627-A1 EPOXY RESINS COMPRISING A PYRAZINE-CONTAINING COMPOUND 3M INNOVATIVE PROPERTIES COMPANY 2016-03-10 US disclosed
US-20160068627-A1 EPOXY RESINS COMPRISING A PYRAZINE-CONTAINING COMPOUND 3M INNOVATIVE PROPERTIES COMPANY 2016-03-10 US disclosed
WO-2014186151-A1 EPOXY RESINS COMPRISING A PYRAZINE-CONTAINING COMPOUND 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-11-20 WO disclosed
EP-1756107-A2 ARYL-SUBSTITUTED PIPERAZINE DERIVATIVES NEUROGEN CORPORATION (US) 2007-02-28 EP disclosed
WO-2006009789-A2 ARYL-SUBSTITUTED PIPERAZINE DERIVATIVES NEUROGEN CORPORATION (US) 2006-01-26 WO disclosed
US-20060009456-A1 Aryl-substituted piperazine derivatives NEUROGEN CORPORATION 2006-01-12 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 (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-20060009456-A1 Aryl-substituted piperazine derivatives MCHR1, MCHR2, PRLHR GRM5 126/4885TLR7 1427/4885POLB 4525/4885

“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.