SCHEMBL18304867

SCHEMBL18304867

COc1cccc(-c2cc(-c3ccco3)n[nH]2)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.44
▸ MAPT P10636 8/20 0.44
▸ KMT2A Q03164 7/20 0.44
▸ HPGD P15428 7/20 0.44
▸ SMN1; SMN2 Q16637 6/20 0.44
▸ ALDH1A1 P00352 6/20 0.44
▸ MEN1 O00255 5/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ ALOX15 P16050 2/20 0.44
▸ GFER P55789 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ RAB9A P51151 5/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ TP53 P04637 1/20 0.41
▸ FYN P06241 1/20 0.40
▸ ADORA2A P29274 2/20 0.40
▸ ADORA1 P30542 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.39
▸ ALPL P05186 1/20 0.39
▸ ALOX12 P18054 2/20 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
SCHEMBL18304826 0.81 HSD17B10 (0.48) PDE10AMAPTKMT2AHPGDSMN1; SMN2
SCHEMBL16841241 0.76 ALDH1A1 (0.65) PDE10AMAPTKMT2AHPGDSMN1; SMN2
SCHEMBL18304735 0.70 KMT2A (0.53) MAPTKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL16590518 0.70 TDP1 (0.57) MAPTKMT2AHPGDSMN1; SMN2ALDH1A1
SCHEMBL18311634 0.69 ALDH1A1 (0.39) MAPTKMT2AHPGDSMN1; SMN2ALDH1A1
SCHEMBL9975999 0.68 MAPT (0.56) MAPTKMT2AHPGDSMN1; SMN2ALDH1A1
SCHEMBL16841257 0.67 GPR35 (0.53) MAPTKMT2AHPGDSMN1; SMN2ALDH1A1
SCHEMBL16844369 0.66 HPGD (0.54) PDE10AMAPTKMT2AHPGDSMN1; SMN2
SCHEMBL26905303 0.66 MAPT (0.51) PDE10AMAPTKMT2AHPGDSMN1; SMN2
SCHEMBL7297420 0.66 TDP1 (0.55) MAPTKMT2AHPGDSMN1; SMN2ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3307067-B1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME LLC (US) 2022-11-02 — — EP disclosed
US-10688082-B2 Aminopyrazine compounds with A2A antagonist properties MERCK SHARP & DOHME CORP. (US) 2020-06-23 — — US disclosed
US-20180193314-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2018-07-12 — — US disclosed
US-20180193314-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2018-07-12 — — US disclosed
EP-3307067-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES Merck Sharp & Dohme Corp. (US) 2018-04-18 — — EP disclosed
WO-2016200717-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2016-12-15 — — WO disclosed
WO-2016200717-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2016-12-15 — — 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-10688082-B2 Aminopyrazine compounds with A2A antagonist properties ADORA2A, ADORA1, ADORA3 PDE10A 289/4885MAPT 974/4885KMT2A 830/4885
US-20180193314-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES ADORA2A, ADORA1, ADORA3 PDE10A 289/4885MAPT 974/4885KMT2A 830/4885

“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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