SCHEMBL3069260

SCHEMBL3069260

c1coc(-c2nc3nsnc3nc2-c2ccncc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
ALDH1A1 P00352 3/20 0.50
POLB P06746 3/20 0.50
MAPT P10636 3/20 0.50
PKM P14618 3/20 0.50
ALOX15 P16050 3/20 0.50
CASP1 P29466 3/20 0.50
BLM P54132 3/20 0.50
CASP7 P55210 3/20 0.50
KMT2A Q03164 3/20 0.50
HSD17B10 Q99714 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
PTPN7 P35236 2/20 0.50
RECQL P46063 2/20 0.50
PIK3R1 P27986 2/20 0.50
PIK3CA P42336 2/20 0.50
USP2 O75604 1/20 0.50

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
SCHEMBL3063758 0.80 ADORA2B (0.54) MEN1ALDH1A1POLBMAPTPKM
SCHEMBL3063477 0.80 MAPT (0.55) MEN1ALDH1A1POLBMAPTPKM
SCHEMBL3059238 0.79 SMN1; SMN2 (0.53) MEN1KMT2AL3MBTL1TDP1KDM4E
SCHEMBL3063769 0.76 ADORA2B (0.46) MEN1ALDH1A1POLBMAPTPKM
SCHEMBL3063933 0.76 BRAF (0.46) MEN1ALDH1A1POLBMAPTPKM
SCHEMBL3074216 0.76 ADORA1 (0.50) MEN1ALDH1A1POLBMAPTPKM
SCHEMBL3058568 0.75 ADORA2A (0.46) ALDH1A1POLBMAPTPKMALOX15
SCHEMBL3071729 0.74 ADORA2A (0.46) ALDH1A1MAPTHSD17B10KDM4EHPGD
SCHEMBL3059038 0.74 ADORA2B (0.48) MEN1ALDH1A1POLBMAPTPKM
SCHEMBL13100306 0.74 ALDH1A1 (0.51) MEN1ALDH1A1POLBMAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MEN1 4368/4885ALDH1A1 734/4885POLB 1496/4885
US-20100273757-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 MEN1 3784/4885ALDH1A1 742/4885POLB 1570/4885

“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.