SCHEMBL21659367

SCHEMBL21659367

COCCOc1cccc2c1CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.47
NR1H2 P55055 1/20 0.46
ABHD6 Q9BV23 3/20 0.45
MAPK1 P28482 1/20 0.44
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
PRMT5 O14744 2/20 0.42
WDR77 Q9BQA1 2/20 0.42
P2RX3 P56373 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MAPT P10636 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
KDM4E B2RXH2 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
S1PR5 Q9H228 1/20 0.41
SCN9A Q15858 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41

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
SCHEMBL14287594 0.86 ABHD6 (0.55) ESR2NR1H2ABHD6MAPK1P2RX3
SCHEMBL16268884 0.85 PTGDR2 (0.52) ESR2NR1H2ABHD6MAPK1TMEM97
SCHEMBL28534873 0.85 HRH3 (0.47) ABHD6TMEM97SIGMAR1HRH3KDM4E
SCHEMBL5100684 0.84 HRH3 (0.62) MAPTHRH3KDM4ES1PR5
SCHEMBL16268375 0.82 TMEM97 (0.47) ESR2NR1H2ABHD6MAPK1TMEM97
SCHEMBL15062790 0.81 ESR2 (0.51) ESR2NR1H2ABHD6MAPK1TMEM97
SCHEMBL5450422 0.81 ABHD6 (0.56) ESR2NR1H2ABHD6MAPK1P2RX3
SCHEMBL31013929 0.81 ESR2 (0.46) ESR2NR1H2ABHD6MAPK1TMEM97
SCHEMBL22366348 0.80 ABHD6 (0.58) ESR2NR1H2ABHD6MAPK1P2RX3
SCHEMBL30678849 0.80 ABHD6 (0.58) ESR2NR1H2ABHD6MAPK1P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210300936-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEONE MEDICINES I GMBH (CH) 2021-09-30 US disclosed
US-20210300936-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEONE MEDICINES I GMBH (CH) 2021-09-30 US disclosed
WO-2020020097-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEIGENE, LTD. (KY) 2020-01-30 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 (1 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-20210300936-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST ADORA2A, ADORA3, ADORA2B ESR2 1900/4885NR1H2 2602/4885ABHD6 4209/4885

“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.