SCHEMBL17768924

SCHEMBL17768924

Nc1nc(-n2nccn2)c(Cl)nc1C(=O)NCc1cccc2cccnc12

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 19/20 0.57
▸ ADORA1 P30542 19/20 0.57
▸ ADORA3 P0DMS8 1/20 0.54
▸ ADORA2B P29275 1/20 0.54
▸ HDAC1 Q13547 1/20 0.44

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
SCHEMBL17769052 0.89 ADORA2A (0.51) ADORA2AADORA1ADORA3ADORA2BHDAC1
SCHEMBL17768637 0.89 ADORA2A (0.46) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL17768715 0.88 ADORA2A (0.54) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL17768730 0.88 ADORA2A (0.55) ADORA2AADORA1ADORA3ADORA2BHDAC1
SCHEMBL17768912 0.87 ADORA2A (0.53) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL17768864 0.87 ADORA2A (0.48) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL17768862 0.85 ADORA2A (0.53) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL17769086 0.85 ADORA2A (0.51) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL17768824 0.85 ADORA2A (0.43) ADORA2AADORA1ADORA3ADORA2BHDAC1
SCHEMBL17768853 0.82 PRNP (0.49) ADORA2AADORA1HDAC1

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-10472347-B2 Aminopyrazine compounds with A2A antagonist properties MERCK SHARP & DOHME CORP. (US) 2019-11-12 — — US claimed
US-20180327385-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2018-11-15 — — US claimed
EP-3220910-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES Merck Sharp & Dohme Corp. (US) 2017-09-27 — — EP claimed
WO-2016081290-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2016-05-26 — — WO claimed
US-10472347-B2 Aminopyrazine compounds with A2A antagonist properties MERCK SHARP & DOHME CORP. (US) 2019-11-12 — — US disclosed
US-10472347-B2 Aminopyrazine compounds with A2A antagonist properties MERCK SHARP & DOHME CORP. (US) 2019-11-12 — — US disclosed
US-20180327385-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2018-11-15 — — US disclosed
EP-3220910-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES Merck Sharp & Dohme Corp. (US) 2017-09-27 — — EP disclosed
WO-2016081290-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2016-05-26 — — WO disclosed
WO-2016081290-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2016-05-26 — — 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-10472347-B2 Aminopyrazine compounds with A2A antagonist properties ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA1 2/4885ADORA3 3/4885
US-20180327385-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA1 2/4885ADORA3 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.

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