SCHEMBL3069409

SCHEMBL3069409

Nc1cnc(-c2ccnc(C3CC3)n2)c(-c2ccco2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.44
ADORA1 P30542 8/20 0.44
ADORA2B P29275 7/20 0.44
MEN1 O00255 4/20 0.41
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 4/20 0.41
HSD17B10 Q99714 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
POLB P06746 3/20 0.41
PKM P14618 3/20 0.41
ALOX15 P16050 3/20 0.41
CASP1 P29466 3/20 0.41
BLM P54132 3/20 0.41
CASP7 P55210 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
PTPN7 P35236 2/20 0.41
RECQL P46063 2/20 0.41

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
SCHEMBL4696000 0.91 ADORA2A (0.39) ADORA2AADORA1ADORA2BMEN1ALDH1A1
SCHEMBL3063750 0.79 ALDH1A1 (0.46) ADORA2AADORA1ADORA2BMEN1ALDH1A1
SCHEMBL3058599 0.78 ADORA2B (0.57) ADORA2AADORA1ADORA2BMEN1ALDH1A1
SCHEMBL3063438 0.78 ADORA2B (0.74) ADORA2AADORA1ADORA2BADORA3CYP1A2
SCHEMBL3066367 0.77 KDM4E (0.46) ADORA2AADORA1ADORA2BMEN1ALDH1A1
SCHEMBL3058552 0.76 ALDH1A1 (0.51) ADORA2AADORA1ADORA2BMEN1ALDH1A1
SCHEMBL4696874 0.74 ADORA2B (0.36) ADORA2AADORA1ADORA2BMEN1ALDH1A1
SCHEMBL3063475 0.73 ADORA2B (0.58) ADORA2AADORA1ADORA2BMEN1ALDH1A1
SCHEMBL4696026 0.70 ADORA2B (0.49) ADORA2AADORA1ADORA2BMEN1ALDH1A1
SCHEMBL3063409 0.69 MAPT (0.50) ADORA2AADORA1MEN1ALDH1A1KMT2A

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

“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.