SCHEMBL3063902

SCHEMBL3063902

O=C(Nc1cnc(-c2ccncc2)c(-c2ncco2)n1)C1CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 1.00
ADORA2B P29275 19/20 1.00
CYP3A4 P08684 4/20 0.76
CYP2D6 P10635 2/20 0.76
ADORA1 P30542 13/20 0.72
ADORA3 P0DMS8 9/20 0.72
CYP2C19 P33261 2/20 0.72
CYP1A2 P05177 2/20 0.71
CYP2C9 P11712 2/20 0.71
RXFP1 Q9HBX9 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL3053863 0.87 ADORA2B (1.00) ADORA2AADORA2BCYP3A4CYP2D6ADORA1
SCHEMBL3075171 0.84 ADORA2B (1.00) ADORA2AADORA2BCYP3A4CYP2D6ADORA1
SCHEMBL3076172 0.83 ADORA2B (1.00) ADORA2AADORA2BCYP3A4CYP2D6ADORA1
SCHEMBL3073913 0.82 ADORA2B (1.00) ADORA2AADORA2BCYP3A4CYP2D6ADORA1
SCHEMBL3069547 0.79 ADORA2B (1.00) ADORA2AADORA2BCYP3A4CYP2D6ADORA1
SCHEMBL3066805 0.79 ADORA2B (1.00) ADORA2AADORA2BCYP3A4CYP2D6ADORA1
SCHEMBL3061652 0.79 ADORA2B (1.00) ADORA2AADORA2BCYP3A4CYP2D6ADORA1
SCHEMBL3071358 0.78 ADORA2B (0.78) ADORA2AADORA2BCYP3A4CYP2D6ADORA1
SCHEMBL3063395 0.78 ADORA2B (1.00) ADORA2AADORA2BCYP3A4CYP2D6ADORA1
SCHEMBL3069142 0.78 ADORA2B (0.81) ADORA2AADORA2BCYP3A4CYP2D6ADORA1

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 14 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
CN-101268064-A Pyrazine derivatives useful as adenosine receptor antagonists ALMIRALL LAB (ES) 2008-09-17 CN 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
CN-101268064-A Pyrazine derivatives useful as adenosine receptor antagonists ALMIRALL LAB (ES) 2008-09-17 CN 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 ADORA2A 2/4885ADORA2B 1/4885CYP3A4 1868/4885
US-20100273757-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 ADORA2A 2/4885ADORA2B 1/4885CYP3A4 857/4885

“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.