SCHEMBL17768864

SCHEMBL17768864

Nc1nc(-n2nccn2)c(Cl)nc1C(=O)NCc1cccc2ncccc12

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 15/20 0.48
▸ ADORA1 P30542 14/20 0.48
▸ ADORA3 P0DMS8 1/20 0.48
▸ ADORA2B P29275 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NSD2 O96028 1/20 0.42
▸ MALT1 Q9UDY8 2/20 0.41
▸ GRM5 P41594 1/20 0.41

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
SCHEMBL17768973 0.93 ADORA2A (0.52) ADORA2AADORA1ADORA3ADORA2BSMN1; SMN2
SCHEMBL17768637 0.88 ADORA2A (0.46) ADORA2AADORA1ADORA3ADORA2BGRM5
SCHEMBL17768924 0.87 ADORA2A (0.57) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL17768824 0.84 ADORA2A (0.43) ADORA2AADORA1ADORA3ADORA2BSMN1; SMN2
SCHEMBL17769005 0.83 ROS1 (0.44) ADORA2AADORA1MALT1
SCHEMBL17768814 0.83 ADORA2A (0.52) ADORA2AADORA1ADORA3ADORA2BMALT1
SCHEMBL17768853 0.81 PRNP (0.49) ADORA2AADORA1SMN1; SMN2GRM5
SCHEMBL17769018 0.80 ADORA2A (0.50) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL17769154 0.79 HPGD (0.50) ADORA2AADORA1ADORA2BSMN1; SMN2
SCHEMBL17768668 0.79 CNR1 (0.49) ADORA2AADORA1GRM5

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 2/4885ADORA3 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.

Send feedback