SCHEMBL21704557

SCHEMBL21704557

O=c1[nH]c2c(c(=O)[nH]1)CO[C@@H]2Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 5/20 0.42
SLC6A5 Q9Y345 1/20 0.39
TYMP P19971 1/20 0.37
ADORA2A P29274 2/20 0.37
TNKS O95271 3/20 0.36
TNKS2 Q9H2K2 3/20 0.36
NR3C2 P08235 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35

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
SCHEMBL6047373 0.71 MAOB (0.40) ADORA2A
SCHEMBL513059 0.69 NR3C1 (0.42) NR3C1HCAR2
SCHEMBL7629569 0.66 CTRB1 (0.53)
SCHEMBL2858795 0.65 CTRB1 (0.52)
SCHEMBL5501059 0.63 CTRB1 (0.42)
SCHEMBL4599933 0.62 HDAC8 (0.41)
SCHEMBL370376 0.62 HCAR2 (0.52) NR3C1HCAR2
SCHEMBL13223295 0.61 CTRB1 (0.47) ADORA2A
SCHEMBL512164 0.61 NR3C1 (0.46) NR3C1HCAR2
SCHEMBL7322892 0.61 HDAC8 (0.42)

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 NR3C1 1006/4885SLC6A5 1901/4885TYMP 206/4885
US-11066413-B2 Aminopyrimidine five-membered heterocyclic compound, and intermediate, preparation method, pharmaceutical composition and application thereof ADORA2A, ADORA2B, ADORA3 NR3C1 1006/4885SLC6A5 1901/4885TYMP 206/4885

“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.