SCHEMBL21731010

SCHEMBL21731010

Nc1nc(-c2ccccc2)c(-c2ccc3ncccc3c2)c2ncnn12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 9/20 0.66
▸ ADORA1 P30542 5/20 0.66
▸ ADORA3 P0DMS8 3/20 0.66
▸ ADORA2B P29275 2/20 0.54
▸ SRC P12931 5/20 0.47
▸ PIK3CD O00329 3/20 0.47
▸ ABL1 P00519 3/20 0.47
▸ EGFR P00533 3/20 0.47
▸ HCK P08631 3/20 0.47
▸ KDR P35968 3/20 0.47
▸ PIK3CA P42336 3/20 0.47
▸ PIK3CB P42338 3/20 0.47
▸ MTOR P42345 3/20 0.47
▸ PIK3CG P48736 3/20 0.47
▸ EPHB4 P54760 3/20 0.47
▸ PRKDC P78527 3/20 0.47
▸ MAT2A P31153 3/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ RAB9A P51151 1/20 0.46

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
SCHEMBL21581808 0.80 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL21731321 0.80 ADORA2A (0.53) ADORA2AADORA1ADORA3ADORA2BMAT2A
SCHEMBL21731054 0.77 ADORA2A (0.66) ADORA2AADORA1ADORA3ADORA2BSRC
SCHEMBL21731205 0.77 ADORA2A (0.44) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL29781406 0.77 NPC1 (0.49) ADORA2AADORA1ADORA3ADORA2BSRC
SCHEMBL21731119 0.77 ADORA2A (0.52) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL21731117 0.77 ADORA2A (0.44) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL21731313 0.77 ADORA2A (0.40) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL21731050 0.77 ADORA2A (0.64) ADORA2AADORA1ADORA2BPOLB
SCHEMBL21731011 0.76 ADORA1 (0.48) ADORA2AADORA1ADORA3ADORA2BNPC1

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 2/4885ADORA3 3/4885
US-11066411-B2 — ADORA2A, ADORA1, ADORA2B ADORA2A 1/4885ADORA1 2/4885ADORA3 4/4885
US-20200131184-A1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVE AS A2A RECEPTOR INHIBITOR ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA1 2/4885ADORA3 3/4885

“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