SCHEMBL3063703

SCHEMBL3063703

Nc1cncc(-c2ccccn2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.54
▸ LMNA P02545 3/20 0.54
▸ CCR1 P32246 3/20 0.54
▸ CCR5 P51681 3/20 0.54
▸ CCR8 P51685 3/20 0.54
▸ METAP1 P53582 2/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ DOHH Q9BU89 1/20 0.54
▸ P4HTM Q9NXG6 1/20 0.54
▸ TP53 P04637 4/20 0.52
▸ ALOX15 P16050 3/20 0.52
▸ L3MBTL1 Q9Y468 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ HTT P42858 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ ALPL P05186 1/20 0.52
▸ HSP90AA1 P07900 1/20 0.52

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
SCHEMBL13140367 0.86 KDM4E (0.70) KDM4ELMNACCR1CCR5CCR8
SCHEMBL23598683 0.82 KDM4E (0.78) KDM4ELMNACCR1CCR5CCR8
SCHEMBL23598500 0.82 KDM4E (0.78) KDM4ELMNACCR1CCR5CCR8
SCHEMBL5196242 0.80 KDM4E (0.47) KDM4ELMNACCR1CCR5CCR8
SCHEMBL27946179 0.78 KDM4E (0.59) KDM4ELMNACCR1CCR5CCR8
SCHEMBL19944117 0.78 KDM4E (0.59) KDM4ELMNACCR1CCR5CCR8
SCHEMBL489080 0.78 KDM4E (0.71) KDM4ELMNACCR1CCR5CCR8
SCHEMBL30215997 0.78 KDM4E (0.71) KDM4ELMNACCR1CCR5CCR8
SCHEMBL3139065 0.77 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL17463144 0.77 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8

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 23 patents — showing the first 20. 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-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
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-20190023666-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-01-24 — — 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-7642354-B2 Use treating nervous system disorders, as neuroprotectants, gastrointestinal disorders, cardiovascular disorders; e.g. 2-(5-phenylpyridin-2-ylamino)-6-pyridin-2-ylpyrimidine ICAGEN, INC. (US) 2010-01-05 — — 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
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
US-20050239800-A1 Polycyclic pyrazines as potassium ion channel modulators ICAGEN, INC. (US) 2005-10-27 — — US 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 (6 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 KDM4E 4200/4885LMNA 4458/4885CCR1 2917/4885
US-20090042891-A1 Pyrazine Derivatives Useful as Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA3 KDM4E 4367/4885LMNA 3415/4885CCR1 3916/4885
US-11028058-B2 Heterocyclic compounds as adenosine antagonists ADORA2A, ADORA3, ADORA1 KDM4E 4200/4885LMNA 4458/4885CCR1 2917/4885
US-20100273757-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 KDM4E 3671/4885LMNA 3402/4885CCR1 1456/4885
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 KDM4E 4200/4885LMNA 4458/4885CCR1 2917/4885
US-20050239800-A1 Polycyclic pyrazines as potassium ion channel modulators KCNJ2, KCNH2, KCNJ1 KDM4E 1618/4885LMNA 3729/4885CCR1 4835/4885

“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.

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