SCHEMBL3071672

SCHEMBL3071672

Nc1nc(-c2ccccc2)c(-c2ccncc2)nc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ADORA2A P29274 6/20 0.56
ADORA1 P30542 5/20 0.56
MAPK14 Q16539 4/20 0.50
MAPK13 O15264 3/20 0.50
MAPK12 P53778 3/20 0.50
MAPK11 Q15759 3/20 0.50
RAF1 P04049 2/20 0.50
MAPK9 P45984 1/20 0.50
MAPK10 P53779 1/20 0.48
CSNK1A1 P48729 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
DHFR P00374 1/20 0.47
PIK3CG P48736 1/20 0.47
NR4A2 P43354 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
GLA P06280 1/20 0.47

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
SCHEMBL14733300 0.89 ADORA2A (0.60) SMN1; SMN2ADORA2AADORA1CSNK1A1CLK4
SCHEMBL3058813 0.84 ADORA2A (0.55) SMN1; SMN2ADORA2AADORA1KDM4EALDH1A1
SCHEMBL23607240 0.82 NOTUM (0.71) NOTUMSMN1; SMN2ADORA2AADORA1MAPK14
SCHEMBL3057933 0.81 MAPK14 (0.55) ADORA2AADORA1MAPK14MAPK13MAPK12
SCHEMBL3064617 0.81 MAPK14 (0.57) ADORA1MAPK14NPC1RAB9A
SCHEMBL2321063 0.80 ADORA2A (0.81) SMN1; SMN2ADORA2AADORA1CSNK1A1CLK4
SCHEMBL23173620 0.79 CSNK1A1 (0.59) SMN1; SMN2ADORA2AADORA1CSNK1A1CLK4
SCHEMBL3058808 0.79 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL13100306 0.78 ALDH1A1 (0.51) SMN1; SMN2ADORA2AADORA1DHFRKDM4E
SCHEMBL23542897 0.77 SMN1; SMN2 (0.67) NOTUMSMN1; SMN2ADORA2AADORA1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790728-B2 Pyrazine derivatives useful as adenosine receptor antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2010-09-07 US claimed
US-20090042891-A1 Pyrazine Derivatives Useful as Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-02-12 US claimed
EP-1922313-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS Laboratorios Almirall, S.A. (ES) 2008-05-21 EP claimed
WO-2007017096-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2007-02-15 WO claimed
US-20100273757-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. 2010-10-28 US disclosed
US-20100273757-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. 2010-10-28 US disclosed
US-20100273757-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. 2010-10-28 US disclosed
US-7790728-B2 Pyrazine derivatives useful as adenosine receptor antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2010-09-07 US disclosed
US-7790728-B2 Pyrazine derivatives useful as adenosine receptor antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2010-09-07 US disclosed
US-7790728-B2 Pyrazine derivatives useful as adenosine receptor antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2010-09-07 US disclosed
US-20090042891-A1 Pyrazine Derivatives Useful as Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-02-12 US disclosed
US-20090042891-A1 Pyrazine Derivatives Useful as Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-02-12 US disclosed
US-20090042891-A1 Pyrazine Derivatives Useful as Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-02-12 US disclosed
EP-1922313-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS Laboratorios Almirall, S.A. (ES) 2008-05-21 EP disclosed
WO-2007017096-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2007-02-15 WO disclosed
WO-2007017096-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2007-02-15 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-20090042891-A1 Pyrazine Derivatives Useful as Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA3 NOTUM 4546/4885SMN1; SMN2 2337/4885ADORA2A 2/4885
US-20100273757-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 NOTUM 3626/4885SMN1; SMN2 4519/4885ADORA2A 2/4885

“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.