SCHEMBL26968677

SCHEMBL26968677

Nc1nc(C#CCCCC(=O)O)nc2[nH]c(-c3cccs3)nc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 7/20 0.53
▸ ADORA2A P29274 6/20 0.53
▸ ADORA1 P30542 4/20 0.45
▸ ADORA2B P29275 3/20 0.40
▸ ERCC1 P07992 5/20 0.36
▸ FEN1 P39748 5/20 0.36
▸ ERCC4 Q92889 5/20 0.36
▸ GRK6 P43250 1/20 0.35
▸ PBK Q96KB5 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL26968545 0.89 ADORA3 (0.46) ADORA3ADORA2AADORA1ERCC1FEN1
SCHEMBL26968382 0.86 ADORA3 (0.71) ADORA3ADORA2AADORA1ADORA2BGAA
SCHEMBL26968493 0.85 ADORA3 (0.70) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL26968359 0.84 ADORA3 (0.68) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL26968552 0.84 ADORA3 (0.68) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL26968522 0.84 ADORA3 (0.68) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL26968751 0.82 ADORA3 (0.51) ADORA3ADORA2AADORA1ADORA2BERCC1
SCHEMBL26968399 0.80 ADORA3 (0.53) ADORA3ADORA2AADORA1ADORA2BALDH1A1
SCHEMBL29108569 0.78 ADORA3 (0.43) ADORA3ADORA2AADORA1ADORA2BERCC1
SCHEMBL26968338 0.76 ADORA3 (0.60) ADORA3ADORA2AADORA1ADORA2BERCC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199679-A1 ADENOSINE DERIVATIVE HAVING ANTAGONISTIC ACTION ON A2A AND A3 ADENOSINE RECEPTORS AND METHOD FOR PREPARING SAME FUTURE MEDICINE CO., LTD. (KR) 2024-06-20 — — US disclosed
EP-4296273-A1 ADENOSINE DERIVATIVE HAVING ANTAGONISTIC ACTION ON A2A AND A3 ADENOSINE RECEPTORS AND METHOD FOR PREPARING SAME Future Medicine Co., Ltd. (KR) 2023-12-27 — — EP disclosed
CN-117083286-A Pair A 2A A is a 3 Adenosine derivatives having antagonism to adenosine receptor and process for preparing same 未来制药有限公司 2023-11-17 — — CN disclosed
WO-2022203427-A1 ADENOSINE DERIVATIVE HAVING ANTAGONISTIC ACTION ON A2A AND A3 ADENOSINE RECEPTORS AND METHOD FOR PREPARING SAME 퓨쳐메디신 주식회사 2022-09-29 — — 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-20240199679-A1 ADENOSINE DERIVATIVE HAVING ANTAGONISTIC ACTION ON A2A AND A3 ADENOSINE RECEPTORS AND METHOD FOR PREPARING SAME ADORA2A, ADORA3, ADORA2B ADORA3 2/4885ADORA2A 1/4885ADORA1 4/4885

“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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