SCHEMBL276378

SCHEMBL276378

CC(C)(C)OC(=O)N1CCC(Nc2ncc(Br)n3ncnc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.52
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.46
HTT P42858 2/20 0.46
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ADORA1 P30542 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
BTK Q06187 2/20 0.45
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
PIK3CD O00329 1/20 0.43
NSD2 O96028 1/20 0.43
USP30 Q70CQ3 1/20 0.43
JAK1 P23458 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
SCHEMBL23547417 0.82 ALDH1A1 (0.45) GPR119ALDH1A1MAPTHTTNPC1
SCHEMBL23547451 0.81 ALDH1A1 (0.44) GPR119ALDH1A1MAPTHTTNPC1
SCHEMBL23547555 0.80 ALDH1A1 (0.49) GPR119ALDH1A1MAPTHTTNPC1
SCHEMBL23547465 0.79 GPR119 (0.50) GPR119ALDH1A1MAPTHTTNPC1
SCHEMBL23547466 0.78 ALDH1A1 (0.46) GPR119ALDH1A1MAPTHTTNPC1
SCHEMBL26180094 0.77 ALDH1A1 (0.50) GPR119ALDH1A1MAPTHTTNPC1
SCHEMBL29417829 0.76 ALDH1A1 (0.49) GPR119ALDH1A1MAPTHTTNPC1
SCHEMBL274684 0.76 MAPKAPK5 (0.53) GPR119CNR1CNR2BTKPIK3CD
SCHEMBL2235171 0.76 ALDH1A1 (0.49) GPR119ALDH1A1MAPTHTTNPC1
SCHEMBL3774389 0.74 ALDH1A1 (0.55) GPR119ALDH1A1MAPTHTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006237-B2 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2015-04-14 US disclosed
US-20120232075-A1 Fused Pyrazine Compounds Useful for the Treatment of Degenerative and Inflammatory Diseases ANDREWS MARTIN JAMES INGLIS (BE) 2012-09-13 US disclosed
US-8148369-B2 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2012-04-03 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-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-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
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-20090012078-A1 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS, N.V. (BE) 2009-01-08 US disclosed
WO-2008138842-A1 IMIDAZOPYRAZINES AND TRIAZOLOPYRAZINE FOR THE TREATMENT OF JOINT DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-11-20 WO 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 (4 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-20090012078-A1 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases TNF, LITAF, CNKSR1 GPR119 995/4885ALDH1A1 1748/4885MAPT 1302/4885
US-20120232075-A1 Fused Pyrazine Compounds Useful for the Treatment of Degenerative and Inflammatory Diseases TNF, LITAF, CNKSR1 GPR119 995/4885ALDH1A1 1748/4885MAPT 1302/4885
US-20090131446-A1 Fused pyrazine compounds useful for the treatment of degenerative and inflmmatory diseases NOD1, TNF, NOD2 GPR119 395/4885ALDH1A1 3969/4885MAPT 3060/4885
US-20100240666-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES RRP15, RARS2, RO60 GPR119 206/4885ALDH1A1 2807/4885MAPT 3086/4885

“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.