SCHEMBL21731155

SCHEMBL21731155

CC1CC(c2c(-c3ccccc3)nc(N)n3ncnc23)CC(C)O1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.36
▸ TNK2 Q07912 9/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ ADK P55263 1/20 0.34
▸ SLC2A1 P11166 1/20 0.33
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ FFAR2 O15552 1/20 0.32

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
SCHEMBL21731152 0.81 HSD17B10 (0.38) ADORA2AALDH1A1TNK2MEN1KMT2A
SCHEMBL21731151 0.79 GABRA1 (0.41) TNK2
SCHEMBL21731052 0.75 ADORA2A (0.35) ADORA2AADORA1ALDH1A1TNK2
SCHEMBL11146247 0.73 KDM4E (0.42) ADORA2AADORA1ALDH1A1MEN1KMT2A
SCHEMBL10430692 0.72 XDH (0.42) ADORA2AADORA1ALDH1A1MEN1KMT2A
SCHEMBL21731318 0.72 CKS1B (0.49) TNK2MEN1KMT2AKDM4E
SCHEMBL21731040 0.71 SRC (0.38) ADORA2AADORA1ALDH1A1TNK2MEN1
SCHEMBL10430710 0.70 KDM5A (0.37) ADORA2AADORA1ALDH1A1TNK2KDM4E
SCHEMBL23859382 0.69 ADORA2A (0.38) ADORA2AADORA1SLC2A1
SCHEMBL23859380 0.69 ADORA2A (0.38) ADORA2AADORA1SLC2A1

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 ADORA2A 1/4885ADORA1 2/4885ALDH1A1 505/4885
US-11066411-B2 — ADORA2A, ADORA1, ADORA2B ADORA2A 1/4885ADORA1 2/4885ALDH1A1 494/4885
US-20200131184-A1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVE AS A2A RECEPTOR INHIBITOR ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA1 2/4885ALDH1A1 505/4885

“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.

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