SCHEMBL17768856

SCHEMBL17768856

Nc1nc(-n2nccn2)c(Cl)nc1C(=O)NCc1ccc(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 2/20 0.48
▸ ADORA2A P29274 4/20 0.44
▸ MAOB P27338 1/20 0.42
▸ ADORA1 P30542 3/20 0.42
▸ KLKB1 P03952 1/20 0.41
▸ GSK3B P49841 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HSD17B13 Q7Z5P4 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ SLC22A2 O15244 3/20 0.39
▸ P2RX7 Q99572 2/20 0.38

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
SCHEMBL17768723 0.88 MET (0.48) METADORA2AMAOBADORA1KLKB1
SCHEMBL17768700 0.87 ADORA2A (0.45) METADORA2AMAOBADORA1KLKB1
SCHEMBL17768933 0.85 MET (0.43) METADORA2AMAOBADORA1KLKB1
SCHEMBL17768553 0.85 MET (0.45) METADORA2AMAOBADORA1KLKB1
SCHEMBL30880846 0.82 ADORA2A (0.63) METADORA2AADORA1MEN1KMT2A
SCHEMBL22551934 0.82 ADORA2A (0.63) METADORA2AADORA1MEN1KMT2A
SCHEMBL17768824 0.81 ADORA2A (0.43) ADORA2AADORA1KMT2A
SCHEMBL17768655 0.79 ADORA2A (0.58) METADORA2AADORA1
SCHEMBL17768853 0.79 PRNP (0.49) ADORA2AADORA1KMT2AMAPK1
SCHEMBL17768668 0.78 CNR1 (0.49) ADORA2AADORA1MEN1KMT2AMAPK1

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 MET 3373/4885ADORA2A 1/4885MAOB 302/4885
US-20180327385-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES ADORA2A, ADORA1, ADORA3 MET 3373/4885ADORA2A 1/4885MAOB 302/4885

“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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