SCHEMBL17769161

SCHEMBL17769161

Nc1nc(-n2nccn2)c(Cl)nc1C(=O)NCc1ccc2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.48
▸ ADORA1 P30542 2/20 0.48
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC2 Q92769 2/20 0.42
▸ GRM5 P41594 2/20 0.40
▸ PIK3CD O00329 4/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HTT P42858 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 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
SCHEMBL17768735 0.82 GRM5 (0.42) ADORA2AADORA1HDAC1GRM5PIK3CD
SCHEMBL17769100 0.82 ADORA2A (0.51) ADORA2AADORA1GRM5NPC1RAB9A
SCHEMBL17768840 0.82 HPGD (0.42) ADORA2AADORA1GRM5HTTALDH1A1
SCHEMBL17768824 0.81 ADORA2A (0.43) ADORA2AADORA1HDAC1HDAC2GRM5
SCHEMBL17768973 0.80 ADORA2A (0.52) ADORA2AADORA1GRM5PIK3CD
SCHEMBL17768690 0.80 POLB (0.49) RAB9AMAPT
SCHEMBL17769184 0.80 ROCK2 (0.40) ADORA2AADORA1GRM5PIK3CDNPC1
SCHEMBL17768853 0.79 PRNP (0.49) ADORA2AADORA1HDAC1GRM5PIK3CD
SCHEMBL20556534 0.78 ADORA2A (0.46) ADORA2AGRM5PIK3CD
SCHEMBL20556533 0.78 ADORA2A (0.46) ADORA2AGRM5PIK3CD

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 8 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
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 2/4885HDAC1 1777/4885
US-20180327385-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA1 2/4885HDAC1 1777/4885

“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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