SCHEMBL21479939

SCHEMBL21479939

CC(=O)OC1(c2ccccn2)CCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
HSD11B1 P28845 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
HRH3 Q9Y5N1 1/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 3/20 0.37
KIF11 P52732 1/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 3/20 0.36
SLC6A2 P23975 2/20 0.36
HIF1A Q16665 2/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
SLC6A4 P31645 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL19392172 0.77 GRM5 (0.36) ALDH1A1HSD17B10KDM4E
SCHEMBL27692996 0.75 TSHR (0.42) ALDH1A1HSD11B1HSD17B10KIF11KDM4E
SCHEMBL21479937 0.73 CTSK (0.33) ALDH1A1HPGDKDM4ETSHR
SCHEMBL21479909 0.73 ADORA2A (0.37) HSD17B10KDM4E
Hydrochloric Acid SCHEMBL23572880 0.72 ADORA2A (0.37) HSD17B10KDM4E
SCHEMBL27907574 0.71 HSD11B1 (0.50) ALDH1A1HSD11B1GRIN1GRIN2AGRIN2B
SCHEMBL23762899 0.71 AKR1C1 (0.48) GAAOPRK1
SCHEMBL24447308 0.71 GRIN1 (0.42) ALDH1A1HSD11B1GRIN1GRIN2AGRIN2B
SCHEMBL4105893 0.70 AKR1C1 (0.47) GAAOPRK1
SCHEMBL29750382 0.70 AKR1C1 (0.52) ALDH1A1HSD11B1GRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11472811-B2 Pyrazolotriazolopyrimidine derivatives as A2A receptor antagonist BEIGENE, LTD. (KY) 2022-10-18 US disclosed
CN-112313234-B Pyrazolo-triazolopyrimidine derivatives as A2A receptor antagonists 百济神州有限公司 2022-04-29 CN disclosed
US-20210198267-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEONE MEDICINES I GMBH (CH) 2021-07-01 US disclosed
US-20210198267-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEONE MEDICINES I GMBH (CH) 2021-07-01 US disclosed
CN-112313234-A Pyrazolo-triazolopyrimidine derivatives as A2A receptor antagonists 百济神州有限公司 2021-02-02 CN disclosed
WO-2019196803-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEIGENE, LTD. (KY) 2019-10-17 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 (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-20210198267-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST ADORA2A, ADORA3, ADORA2B ALDH1A1 1050/4885HSD11B1 3140/4885GRIN1 474/4885
US-11472811-B2 Pyrazolotriazolopyrimidine derivatives as A2A receptor antagonist ADORA2A, ADORA3, ADORA2B ALDH1A1 1050/4885HSD11B1 3140/4885GRIN1 474/4885

“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.