SCHEMBL276233

SCHEMBL276233

Brc1cnc(NC2CCN(Cc3ccccc3)C2)c2ncnn12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.48
BCHE P06276 4/20 0.47
ACHE P22303 4/20 0.47
BACE1 P56817 3/20 0.47
OPRK1 P41145 1/20 0.46
SCN1A P35498 2/20 0.46
SCN8A Q9UQD0 2/20 0.46
CYP3A4 P08684 1/20 0.46
CXCR4 P61073 1/20 0.45
CCR2 P41597 1/20 0.45
ROCK1 Q13464 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MALT1 Q9UDY8 1/20 0.43
MEN1 O00255 1/20 0.43
KAT2B Q92831 2/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL279710 0.77 RIPK1 (0.43) ROCK2OPRK1SCN1ASCN8ACYP3A4
SCHEMBL274317 0.77 RIPK1 (0.43) ROCK2OPRK1SCN1ASCN8ACYP3A4
SCHEMBL12350663 0.75 ACHE (0.48) ROCK2BCHEACHEBACE1OPRK1
SCHEMBL4222919 0.72 SCN1A (0.58) ROCK2BCHEACHEBACE1OPRK1
SCHEMBL4227169 0.72 SCN1A (0.58) ROCK2BCHEACHEBACE1OPRK1
SCHEMBL4218837 0.71 SCN8A (0.60) ROCK2BCHEACHEBACE1OPRK1
SCHEMBL4220874 0.71 SCN8A (0.60) ROCK2BCHEACHEBACE1OPRK1
SCHEMBL331018 0.71 BCHE (0.68) ROCK2BCHEACHEBACE1OPRK1
SCHEMBL331017 0.71 BCHE (0.68) ROCK2BCHEACHEBACE1OPRK1
SCHEMBL4227789 0.70 SCN1A (0.50) ROCK2BCHEACHEBACE1OPRK1

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-8138193-B2 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-20 US disclosed
US-8138193-B2 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-20 US disclosed
US-8138193-B2 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-20 US disclosed
US-8133895-B2 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-13 US disclosed
US-8133895-B2 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-13 US disclosed
US-20100240666-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ANDREWS MARTIN JAMES INGLIS 2010-09-23 US disclosed
US-20100240666-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ANDREWS MARTIN JAMES INGLIS 2010-09-23 US disclosed
US-20100240666-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ANDREWS MARTIN JAMES INGLIS 2010-09-23 US disclosed
US-20090131446-A1 Fused pyrazine compounds useful for the treatment of degenerative and inflmmatory diseases GALAPAGOS, N.V. (BE) 2009-05-21 US disclosed
US-20090131446-A1 Fused pyrazine compounds useful for the treatment of degenerative and inflmmatory diseases GALAPAGOS, N.V. (BE) 2009-05-21 US disclosed
WO-2008138843-A1 IMIDAZOPYRIDINES AND TRIAZOLOPYRIMIDINES USEFUL FOR THE TREATMENT OF JOINT DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-11-20 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-20090131446-A1 Fused pyrazine compounds useful for the treatment of degenerative and inflmmatory diseases NOD1, TNF, NOD2 ROCK2 4200/4885BCHE 3961/4885ACHE 3930/4885
US-20100240666-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES RRP15, RARS2, RO60 ROCK2 1074/4885BCHE 1756/4885ACHE 1091/4885

“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.