SCHEMBL21704319

SCHEMBL21704319

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.67
▸ ADORA2B P29275 2/20 0.62
▸ ALDH1A1 P00352 7/20 0.57
▸ PKM P14618 1/20 0.57
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ HSD17B10 Q99714 3/20 0.49
▸ ALOX15 P16050 2/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ HSP90AA1 P07900 1/20 0.46
▸ HSP90AB1 P08238 1/20 0.46
▸ ADORA3 P0DMS8 5/20 0.45
▸ GAA P10253 3/20 0.45
▸ POLB P06746 3/20 0.45
▸ KDM4E B2RXH2 5/20 0.45
▸ MAPT P10636 3/20 0.45
▸ HPGD P15428 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ LMNA P02545 1/20 0.45

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
SCHEMBL21704315 0.87 ADORA2B (0.59) L3MBTL1ADORA2BALDH1A1PKMMEN1
SCHEMBL21704463 0.83 L3MBTL1 (0.64) L3MBTL1ADORA2BALDH1A1PKMMEN1
SCHEMBL21704360 0.81 ALDH1A1 (0.48) L3MBTL1ADORA2BALDH1A1PKMMEN1
SCHEMBL23204334 0.79 ADORA2B (0.57) L3MBTL1ADORA2BALDH1A1PKMMEN1
SCHEMBL29623115 0.78 ADORA2B (0.62) L3MBTL1ADORA2BALDH1A1PKMMEN1
SCHEMBL23162758 0.78 ADORA2B (0.62) L3MBTL1ADORA2BALDH1A1PKMMEN1
SCHEMBL21704512 0.75 LMNA (0.56) L3MBTL1ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL21704503 0.74 HSP90AA1 (0.57) L3MBTL1ADORA2BALDH1A1PKMMEN1
SCHEMBL23204450 0.74 ADORA2B (0.57) L3MBTL1ADORA2BALDH1A1PKMMEN1
SCHEMBL23204167 0.74 ADORA2B (0.57) L3MBTL1ADORA2BALDH1A1PKMMEN1

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 L3MBTL1 4698/4885ADORA2B 2/4885ALDH1A1 939/4885
US-11066413-B2 Aminopyrimidine five-membered heterocyclic compound, and intermediate, preparation method, pharmaceutical composition and application thereof ADORA2A, ADORA2B, ADORA3 L3MBTL1 4698/4885ADORA2B 2/4885ALDH1A1 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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