SCHEMBL21704463

SCHEMBL21704463

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.64
▸ ADORA2B P29275 2/20 0.60
▸ ALDH1A1 P00352 8/20 0.55
▸ PKM P14618 1/20 0.55
▸ HPGD P15428 4/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ ALOX15 P16050 3/20 0.48
▸ HSD17B10 Q99714 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ NPSR1 Q6W5P4 3/20 0.48
▸ POLB P06746 3/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ GAPDH P04406 1/20 0.48
▸ NR4A1 P22736 1/20 0.48
▸ PTPN7 P35236 1/20 0.48
▸ RECQL P46063 1/20 0.48

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
SCHEMBL23204334 0.88 ADORA2B (0.57) L3MBTL1ADORA2BALDH1A1PKMHPGD
SCHEMBL23162595 0.88 ADORA2B (0.57) L3MBTL1ADORA2BALDH1A1PKMHPGD
SCHEMBL29623173 0.88 ADORA2B (0.57) L3MBTL1ADORA2BALDH1A1PKMHPGD
SCHEMBL21704471 0.86 ADORA2B (0.58) L3MBTL1ADORA2BALDH1A1PKMHPGD
SCHEMBL21704319 0.83 L3MBTL1 (0.67) L3MBTL1ADORA2BALDH1A1PKMHPGD
SCHEMBL21704520 0.82 ALDH1A1 (0.46) L3MBTL1ADORA2BALDH1A1PKMHPGD
SCHEMBL23204450 0.79 ADORA2B (0.57) L3MBTL1ADORA2BALDH1A1PKMHPGD
SCHEMBL29623178 0.79 ADORA2B (0.57) L3MBTL1ADORA2BALDH1A1PKMHPGD
SCHEMBL29623513 0.79 ADORA2B (0.57) L3MBTL1ADORA2BALDH1A1PKMHPGD
SCHEMBL7147842 0.79 ADORA2B (0.57) L3MBTL1ADORA2BALDH1A1PKMHPGD

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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