SCHEMBL3063409

SCHEMBL3063409

Nc1cnc(Br)c(-c2ccco2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
HSD17B10 Q99714 4/20 0.50
MEN1 O00255 3/20 0.50
ALDH1A1 P00352 3/20 0.50
POLB P06746 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
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
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
THRB P10828 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
SCHEMBL28357256 0.83 POLB (0.53) MAPTHSD17B10MEN1ALDH1A1POLB
SCHEMBL29947029 0.76 ADORA2A (0.54) MAPTHSD17B10MEN1ALDH1A1POLB
SCHEMBL21572882 0.76 ADORA2A (0.54) MAPTHSD17B10MEN1ALDH1A1POLB
SCHEMBL3063475 0.75 ADORA2B (0.58) MAPTHSD17B10MEN1ALDH1A1POLB
SCHEMBL23828585 0.75 MAPT (0.52) MAPTHSD17B10MEN1ALDH1A1POLB
SCHEMBL3073764 0.74 PLAU (0.44) MAPTHSD17B10MEN1ALDH1A1POLB
SCHEMBL30353572 0.73 ADORA2A (0.52) MAPTHSD17B10MEN1ALDH1A1POLB
SCHEMBL1555436 0.73 ADORA2A (0.52) MAPTHSD17B10MEN1ALDH1A1POLB
SCHEMBL2371983 0.73 MAPT (0.46) MAPTHSD17B10MEN1ALDH1A1POLB
SCHEMBL3063750 0.73 ALDH1A1 (0.46) MAPTHSD17B10MEN1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS NUVATION BIO INC (US) 2021-09-23 US disclosed
US-11028058-B2 Heterocyclic compounds as adenosine antagonists NUVATION BIO INC. (US) 2021-06-08 US disclosed
EP-3654978-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS Nuvation Bio Inc. (US) 2020-05-27 EP disclosed
CN-111163780-A Heterocyclic compounds as adenosine antagonists 诺维逊生物股份有限公司 2020-05-15 CN disclosed
US-20190023666-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-01-24 US disclosed
WO-2019018584-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS GiraFpharma LLC (US) 2019-01-24 WO 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-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 (5 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-20190023666-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 MAPT 4850/4885HSD17B10 4655/4885MEN1 2327/4885
US-20090042891-A1 Pyrazine Derivatives Useful as Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA3 MAPT 4811/4885HSD17B10 2375/4885MEN1 4368/4885
US-11028058-B2 Heterocyclic compounds as adenosine antagonists ADORA2A, ADORA3, ADORA1 MAPT 4850/4885HSD17B10 4655/4885MEN1 2327/4885
US-20100273757-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 MAPT 4849/4885HSD17B10 2271/4885MEN1 3784/4885
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 MAPT 4850/4885HSD17B10 4655/4885MEN1 2327/4885

“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.