SCHEMBL21704315

SCHEMBL21704315

CCOC(=O)c1c(C=O)nc(OC)nc1-c1ccco1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 3/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ ALDH1A1 P00352 8/20 0.49
▸ PKM P14618 1/20 0.49
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.42
▸ HSP90AB1 P08238 1/20 0.42
▸ ADORA2A P29274 6/20 0.42
▸ ADORA1 P30542 6/20 0.42
▸ TRIM24 O15164 1/20 0.40
▸ TRIM33 Q9UPN9 1/20 0.40
▸ ADORA3 P0DMS8 5/20 0.40
▸ CACNA1B Q00975 1/20 0.39
▸ APBA1 Q02410 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TSHR P16473 2/20 0.39

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
SCHEMBL21704319 0.87 L3MBTL1 (0.67) ADORA2BL3MBTL1ALDH1A1PKMKMT2A
SCHEMBL21704471 0.83 ADORA2B (0.58) ADORA2BL3MBTL1ALDH1A1PKMKMT2A
SCHEMBL21704331 0.83 ALDH1A1 (0.44) ADORA2BL3MBTL1ALDH1A1PKMKMT2A
SCHEMBL21704504 0.74 HSP90AA1 (0.51) ADORA2BL3MBTL1ALDH1A1PKMKMT2A
SCHEMBL23204334 0.74 ADORA2B (0.57) ADORA2BL3MBTL1ALDH1A1PKMKMT2A
SCHEMBL21704463 0.74 L3MBTL1 (0.64) ADORA2BL3MBTL1ALDH1A1PKMKMT2A
SCHEMBL29623115 0.73 ADORA2B (0.62) ADORA2BL3MBTL1ALDH1A1PKMKMT2A
SCHEMBL23162758 0.73 ADORA2B (0.62) ADORA2BL3MBTL1ALDH1A1PKMKMT2A
SCHEMBL23204167 0.70 ADORA2B (0.57) ADORA2BL3MBTL1ALDH1A1PKMKMT2A
SCHEMBL23162595 0.70 ADORA2B (0.57) ADORA2BL3MBTL1ALDH1A1PKMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11066413-B2 Aminopyrimidine five-membered heterocyclic compound, and intermediate, preparation method, pharmaceutical composition and application thereof GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2021-07-20 — — US disclosed
US-20200048270-A1 AMINOPYRIMIDINE FIVE-MEMBERED HETEROCYCLIC COMPOUND, AND INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2020-02-13 — — 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-20200048270-A1 AMINOPYRIMIDINE FIVE-MEMBERED HETEROCYCLIC COMPOUND, AND INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF ADORA2A, ADORA2B, ADORA3 ADORA2B 2/4885L3MBTL1 4698/4885ALDH1A1 939/4885
US-11066413-B2 Aminopyrimidine five-membered heterocyclic compound, and intermediate, preparation method, pharmaceutical composition and application thereof ADORA2A, ADORA2B, ADORA3 ADORA2B 2/4885L3MBTL1 4698/4885ALDH1A1 939/4885

“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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