SCHEMBL21731320

SCHEMBL21731320

CC(C)(C)OC(=O)N1CC=C(c2c(-c3ccccc3)nc(N)n3ncnc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 2/20 0.51
▸ GRM5 P41594 8/20 0.47
▸ GRM1 Q13255 7/20 0.47
▸ PDK4 Q16654 1/20 0.47
▸ BTK Q06187 1/20 0.45
▸ NAMPT P43490 1/20 0.44
▸ CKS1B P61024 2/20 0.43
▸ SKP1 P63208 2/20 0.43
▸ SKP2 Q13309 2/20 0.43
▸ PDE10A Q9Y233 1/20 0.43
▸ HTR6 P50406 1/20 0.42
▸ ATR Q13535 2/20 0.42

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
SCHEMBL21731318 0.78 CKS1B (0.49) TNK2CKS1BSKP1SKP2
SCHEMBL2239831 0.77 NAMPT (0.66) TNK2GRM5GRM1PDK4NAMPT
SCHEMBL19989639 0.75 NAMPT (0.67) TNK2GRM5GRM1PDK4BTK
SCHEMBL60338 0.72 GRM1 (0.46) TNK2GRM5GRM1PDK4BTK
SCHEMBL615898 0.71 ATR (0.56) TNK2GRM5GRM1PDK4BTK
SCHEMBL2811392 0.71 PDK4 (0.60) GRM5GRM1PDK4NAMPTHTR6
SCHEMBL21932589 0.70 PIK3CA (0.39) —
SCHEMBL73964 0.70 GRM5 (0.60) TNK2GRM5GRM1PDK4NAMPT
SCHEMBL2908091 0.70 NAMPT (0.60) TNK2GRM5GRM1PDK4BTK
SCHEMBL29227506 0.70 NAMPT (0.60) TNK2GRM5GRM1PDK4BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3611174-B1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVE AS A2A RECEPTOR INHIBITOR MEDSHINE DISCOVERY INC (CN) 2022-06-08 — — EP disclosed
US-11117899-B2 [1,2,4]triazolo[1,5-c]pyrimidine derivative as A2A receptor inhibitor MEDSHINE DISCOVERY INC. (CN) 2021-09-14 — — US disclosed
US-11066411-B2 — — 2021-07-20 — — US disclosed
US-20200131184-A1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVE AS A2A RECEPTOR INHIBITOR MEDSHINE DISCOVERY INC. (CN) 2020-04-30 — — US disclosed
EP-3611174-A1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVE AS A2A RECEPTOR INHIBITOR Medshine Discovery Inc. (CN) 2020-02-19 — — EP 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 (3 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-11117899-B2 [1,2,4]triazolo[1,5-c]pyrimidine derivative as A2A receptor inhibitor ADORA2A, ADORA1, ADORA3 TNK2 572/4885GRM5 85/4885GRM1 60/4885
US-11066411-B2 — ADORA2A, ADORA1, ADORA2B TNK2 1278/4885GRM5 77/4885GRM1 57/4885
US-20200131184-A1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVE AS A2A RECEPTOR INHIBITOR ADORA2A, ADORA1, ADORA3 TNK2 572/4885GRM5 85/4885GRM1 60/4885

“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.

Send feedback