SCHEMBL21588751

SCHEMBL21588751

Nc1nc2c(cnn2CCc2ccc(C(=O)O)cc2)c2nc(-c3ccco3)nn12

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 0.90
ADORA1 P30542 13/20 0.90
ADORA2B P29275 2/20 0.82
KDM4E B2RXH2 1/20 0.82
NPC1 O15118 1/20 0.82
ALDH1A1 P00352 1/20 0.82
TP53 P04637 1/20 0.82
CYP3A4 P08684 1/20 0.82
ADORA3 P0DMS8 1/20 0.82
HPGD P15428 1/20 0.82
ALOX15 P16050 1/20 0.82
MAPK1 P28482 1/20 0.82
RAB9A P51151 1/20 0.82
SMN1; SMN2 Q16637 1/20 0.82
HSD17B10 Q99714 1/20 0.82
HDAC1 Q13547 2/20 0.82
HDAC6 Q9UBN7 1/20 0.82
HDAC3 O15379 1/20 0.76
HDAC2 Q92769 1/20 0.76
HDAC10 Q969S8 1/20 0.76

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
Sch-58261 SCHEMBL537287 0.90 ADORA2A (1.00) ADORA2AADORA1ADORA2BKDM4ENPC1
SCHEMBL21588752 0.90 ADORA2A (0.78) ADORA2AADORA1ADORA2BKDM4ENPC1
SCHEMBL7339226 0.90 ADORA2A (1.00) ADORA2AADORA1ADORA2BKDM4ENPC1
SCHEMBL23691785 0.90 ADORA2A (0.85) ADORA2AADORA1ADORA2BKDM4ENPC1
SCHEMBL23691615 0.89 ADORA2A (0.74) ADORA2AADORA1ADORA2BKDM4ENPC1
SCHEMBL21588926 0.88 ADORA2A (0.91) ADORA2AADORA1ADORA2BKDM4ENPC1
SCHEMBL21588760 0.88 ADORA2A (1.00) ADORA2AADORA1ADORA2BKDM4ENPC1
SCHEMBL22796280 0.88 ADORA2A (0.85) ADORA2AADORA1ADORA2BKDM4ENPC1
SCHEMBL20694157 0.88 ADORA2A (0.85) ADORA2AADORA1ADORA2BKDM4ENPC1
SCHEMBL7346016 0.85 ADORA2A (0.90) ADORA2AADORA1ADORA2BKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210230171-A1 SELECTIVE A2A RECEPTOR ANTAGONIST INXMED (NANJING) CO., LTD. (CN) 2021-07-29 US disclosed
EP-3805225-A1 SELECTIVE A2a RECEPTOR ANTAGONIST Inxmed (Nanjing) Co., Ltd. (CN) 2021-04-14 EP disclosed
WO-2019233366-A1 SELECTIVE A2A RECEPTOR ANTAGONIST 应世汇康(北京)生物科技有限公司 (CN) 2019-12-12 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 (1 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-20210230171-A1 SELECTIVE A2A RECEPTOR ANTAGONIST ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885ADORA1 3/4885ADORA2B 2/4885

“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.