SCHEMBL17768655

SCHEMBL17768655

Nc1cccc(F)c1CNC(=O)c1nc(Cl)c(-n2nccn2)nc1N

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 11/20 0.58
▸ ADORA1 P30542 4/20 0.46
▸ MET P08581 4/20 0.42
▸ ADORA2B P29275 1/20 0.42
▸ GRM5 P41594 1/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ ATM Q13315 1/20 0.36

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
SCHEMBL22551934 0.95 ADORA2A (0.63) ADORA2AADORA1METADORA2BGRM5
SCHEMBL30880846 0.95 ADORA2A (0.63) ADORA2AADORA1METADORA2BGRM5
SCHEMBL17768824 0.84 ADORA2A (0.43) ADORA2AADORA1ADORA2BGRM5HDAC1
SCHEMBL17768942 0.82 ADORA2A (0.66) ADORA2AADORA1METADORA2BATM
SCHEMBL17768856 0.79 MET (0.48) ADORA2AADORA1MET
SCHEMBL17769100 0.78 ADORA2A (0.51) ADORA2AADORA1ADORA2BGRM5
SCHEMBL17768853 0.77 PRNP (0.49) ADORA2AADORA1GRM5HDAC1
SCHEMBL17768668 0.76 CNR1 (0.49) ADORA2AADORA1GRM5
SCHEMBL17768924 0.76 ADORA2A (0.57) ADORA2AADORA1ADORA2BHDAC1
SCHEMBL17768637 0.76 ADORA2A (0.46) ADORA2AADORA1ADORA2BGRM5

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 9 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

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 2/4885MET 3373/4885
US-20180327385-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA1 2/4885MET 3373/4885

“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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