SCHEMBL17769005

SCHEMBL17769005

Nc1nc(-n2nccn2)c(Cl)nc1C(=O)NCc1cccc2cnccc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ROS1 P08922 1/20 0.44
▸ RPS6KB1 P23443 1/20 0.44
▸ ADORA2A P29274 6/20 0.43
▸ ADORA1 P30542 4/20 0.42
▸ MAPK8 P45983 4/20 0.39
▸ MAPK10 P53779 4/20 0.39
▸ MAPK9 P45984 3/20 0.39
▸ TRPV1 Q8NER1 3/20 0.39
▸ DGAT2 Q96PD7 2/20 0.39
▸ MALT1 Q9UDY8 1/20 0.39
▸ NR3C2 P08235 1/20 0.39
▸ GLS O94925 1/20 0.39
▸ CYP2C9 P11712 1/20 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
SCHEMBL17768814 0.92 ADORA2A (0.52) ADORA2AADORA1TRPV1DGAT2MALT1
SCHEMBL17778277 0.88 ADORA2A (0.47) ROS1RPS6KB1ADORA2AADORA1MAPK8
SCHEMBL17768824 0.83 ADORA2A (0.43) ADORA2AADORA1
SCHEMBL17768864 0.83 ADORA2A (0.48) ADORA2AADORA1MALT1
SCHEMBL17768924 0.82 ADORA2A (0.57) ADORA2AADORA1
SCHEMBL17768853 0.81 PRNP (0.49) ADORA2AADORA1
SCHEMBL17768973 0.80 ADORA2A (0.52) ADORA2AADORA1MALT1
SCHEMBL17768637 0.79 ADORA2A (0.46) ADORA2AADORA1
SCHEMBL17768668 0.78 CNR1 (0.49) ADORA2AADORA1MAPK10TRPV1
SCHEMBL17769154 0.78 HPGD (0.50) ADORA2AADORA1

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 ROS1 1637/4885RPS6KB1 1259/4885ADORA2A 1/4885
US-20180327385-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES ADORA2A, ADORA1, ADORA3 ROS1 1637/4885RPS6KB1 1259/4885ADORA2A 1/4885

“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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