SCHEMBL21479937

SCHEMBL21479937

CC(=O)OC1(c2cccc(C#N)n2)CCC1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.33
P2RX7 Q99572 1/20 0.33
MGLL Q99685 1/20 0.32
AHR P35869 1/20 0.32
SRC P12931 1/20 0.32
USP30 Q70CQ3 2/20 0.31
SOS2 Q07890 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30

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 0.80 GRM5 (0.36) P2RX7KDM4EMEN1ALDH1A1KMT2A
SCHEMBL21479909 0.76 ADORA2A (0.37) KDM4E
Hydrochloric Acid SCHEMBL23572880 0.75 ADORA2A (0.37) KDM4E
SCHEMBL536713 0.73 HTR1A (0.40) CTSKP2RX7AHRSRCUSP30
SCHEMBL21479939 0.73 ALDH1A1 (0.40) KDM4EALDH1A1HPGDTSHR
SCHEMBL15324643 0.69 CTSK (0.34) CTSK
SCHEMBL2963175 0.67 MGLL (0.47) MGLLAHRSRCSOS2KDM4E
SCHEMBL7770340 0.65 AHR (0.49) CTSKAHRSRCSOS2KDM4E
SCHEMBL28857476 0.64 CYP19A1 (0.41) KDM4EMEN1ALDH1A1HPGDTSHR
SCHEMBL9298287 0.64 ALDH1A1 (0.42) AHRSRCSOS2KDM4EALDH1A1

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 CTSK 2893/4885P2RX7 11/4885MGLL 4608/4885
US-11472811-B2 Pyrazolotriazolopyrimidine derivatives as A2A receptor antagonist ADORA2A, ADORA3, ADORA2B CTSK 2893/4885P2RX7 11/4885MGLL 4608/4885

“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.