SCHEMBL17769096

SCHEMBL17769096

Nc1nc(-n2nccn2)c(Cl)nc1C(=O)NCCc1ccccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.42
▸ PDE4B Q07343 1/20 0.39
▸ PRNP P04156 1/20 0.39
▸ ADORA2A P29274 2/20 0.37
▸ SCNN1A P37088 3/20 0.37
▸ TSHR P16473 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ P2RX7 Q99572 2/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ HIF1A Q16665 2/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ CXCR3 P49682 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35

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
SCHEMBL17768853 0.89 PRNP (0.49) GRM5PRNPADORA2ATSHRSMN1; SMN2
SCHEMBL17768824 0.81 ADORA2A (0.43) GRM5PRNPADORA2ASCNN1ATSHR
SCHEMBL17768749 0.79 NPC1 (0.49) GRM5TSHRSMN1; SMN2MAPTNPC1
SCHEMBL17769154 0.76 HPGD (0.50) ADORA2ATSHRSMN1; SMN2KMT2AHTT
SCHEMBL17768668 0.76 CNR1 (0.49) GRM5ADORA2AP2RX7KMT2AADORA1
SCHEMBL17768849 0.76 NAMPT (0.39) GRM5ADORA2ASMN1; SMN2KMT2AADORA1
SCHEMBL17768924 0.74 ADORA2A (0.57) ADORA2AADORA1
SCHEMBL17768973 0.74 ADORA2A (0.52) GRM5ADORA2ASMN1; SMN2ADORA1
SCHEMBL17768842 0.74 GAA (0.53) SMN1; SMN2KMT2AHTTMAPTALDH1A1
SCHEMBL17768953 0.74 ADORA2A (0.54) 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 GRM5 72/4885PDE4B 316/4885PRNP 513/4885
US-20180327385-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES ADORA2A, ADORA1, ADORA3 GRM5 72/4885PDE4B 316/4885PRNP 513/4885

“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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