SCHEMBL3059387

SCHEMBL3059387

O=C(Nc1ccc(F)cc1)Nc1cnc(-c2ccncc2)c(-c2ccccn2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 7/20 0.64
ADORA2A P29274 6/20 0.64
ADORA1 P30542 5/20 0.64
KMT2A Q03164 5/20 0.50
MEN1 O00255 2/20 0.50
TAAR1 Q96RJ0 1/20 0.50
ROCK1 Q13464 1/20 0.49
LMNA P02545 2/20 0.49
ADORA3 P0DMS8 3/20 0.48
CYP3A4 P08684 3/20 0.46
CYP2D6 P10635 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
PSMD14 O00487 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
BLM P54132 1/20 0.45
MCL1 Q07820 1/20 0.45

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
SCHEMBL3061626 0.84 ADORA2B (0.63) ADORA2BADORA2AADORA1KMT2AMEN1
SCHEMBL3076164 0.81 ADORA2B (0.73) ADORA2BADORA2AADORA1ADORA3CYP3A4
SCHEMBL3059068 0.80 ADORA2A (0.74) ADORA2BADORA2AADORA1ADORA3CYP3A4
SCHEMBL3063724 0.78 ADORA2A (0.72) ADORA2BADORA2AADORA1LMNAADORA3
SCHEMBL3063395 0.78 ADORA2B (1.00) ADORA2BADORA2AADORA1LMNAADORA3
SCHEMBL4917143 0.70 KMT2A (1.00) KMT2AMEN1TAAR1ROCK1LMNA
SCHEMBL5751620 0.69 ADORA3 (0.47) KMT2AMEN1TAAR1ROCK1LMNA
SCHEMBL30686047 0.68 GRM4 (0.65) KMT2AMEN1SMN1; SMN2MAPTNPC1
SCHEMBL10415452 0.68 GRM4 (0.65) KMT2AMEN1SMN1; SMN2MAPTNPC1
SCHEMBL3068457 0.67 ADORA2B (1.00) ADORA2BADORA2AADORA1LMNAADORA3

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 12 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
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
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 ADORA2B 1/4885ADORA2A 2/4885ADORA1 4/4885
US-20100273757-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 ADORA2B 1/4885ADORA2A 2/4885ADORA1 3/4885

“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.