SCHEMBL20556533

SCHEMBL20556533

C[C@@H](NC(=O)c1nc(Cl)c(-n2nccn2)nc1N)c1ccc2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 14/20 0.46
▸ PIK3CD O00329 2/20 0.41
▸ PIK3R2 O00459 1/20 0.40
▸ GRM5 P41594 2/20 0.39
▸ CTSA P10619 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
SCHEMBL20556534 1.00 ADORA2A (0.46) ADORA2APIK3CDPIK3R2GRM5CTSA
SCHEMBL17769161 0.78 ADORA2A (0.48) ADORA2APIK3CDGRM5
SCHEMBL20556354 0.75 CTSA (0.44) GRM5CTSA
SCHEMBL17768613 0.75 CTSA (0.44) GRM5CTSA
SCHEMBL21555725 0.73 TACR3 (0.48) GRM5CTSA
SCHEMBL20556613 0.73 CTSA (0.53) ADORA2AGRM5CTSA
SCHEMBL20556556 0.73 CTSA (0.53) ADORA2AGRM5CTSA
SCHEMBL17768736 0.73 CTSA (0.53) ADORA2AGRM5CTSA
SCHEMBL20556542 0.73 GRM5 (0.48) ADORA2AGRM5CTSA
SCHEMBL17769165 0.73 GRM5 (0.48) ADORA2AGRM5CTSA

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 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

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 1/4885PIK3CD 2974/4885PIK3R2 2148/4885
US-20180327385-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885PIK3CD 2974/4885PIK3R2 2148/4885

“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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