SCHEMBL17768686

SCHEMBL17768686

Nc1nc(-n2nccn2)c(CO)nc1C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 2/20 0.32
▸ ADORA2A P29274 4/20 0.31
▸ ADORA1 P30542 3/20 0.31
▸ GABRP O00591 1/20 0.31
▸ GABRD O14764 1/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ GABRB1 P18505 1/20 0.31
▸ GABRG2 P18507 1/20 0.31
▸ GABRB3 P28472 1/20 0.31
▸ GABRA5 P31644 1/20 0.31
▸ GABRA3 P34903 1/20 0.31
▸ GABRA2 P47869 1/20 0.31
▸ GABRB2 P47870 1/20 0.31
▸ GABRA4 P48169 1/20 0.31
▸ GABRE P78334 1/20 0.31
▸ GABRA6 Q16445 1/20 0.31
▸ GABRG1 Q8N1C3 1/20 0.31
▸ GABRG3 Q99928 1/20 0.31
▸ GABRQ Q9UN88 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL17768893 0.81 ALDH1A1 (0.43) ADORA2AADORA1KDM4EMEN1ALDH1A1
SCHEMBL17768976 0.78 SLC9A1 (0.35) PLAUADORA2AADORA1GABRPGABRD
SCHEMBL17768977 0.78 TDP1 (0.43) PLAUADORA2AKDM4EMEN1ALDH1A1
SCHEMBL29907694 0.78 TDP1 (0.43) PLAUADORA2AKDM4EMEN1ALDH1A1
SCHEMBL17768912 0.70 ADORA2A (0.53) ADORA2AADORA1
SCHEMBL17778177 0.68 ADORA2A (0.41) ADORA2AADORA1KDM4EMEN1ALDH1A1
SCHEMBL20556587 0.68 PLAU (0.43) PLAUADORA2AKDM4EMEN1ALDH1A1
SCHEMBL588905 0.66 TDP1 (0.44) PLAUADORA2AGABRPGABRDGABRA1
SCHEMBL16100852 0.66 GABRP (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17768876 0.66 NPSR1 (0.41) KDM4EALDH1A1HPGDHSD17B10

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 5 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 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 PLAU 2745/4885ADORA2A 1/4885ADORA1 2/4885
US-20180327385-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES ADORA2A, ADORA1, ADORA3 PLAU 2745/4885ADORA2A 1/4885ADORA1 2/4885

“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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