SCHEMBL26968416

SCHEMBL26968416

O=C(O)CCCC#Cc1nc(Cl)c2nc(-c3ccco3)[nH]c2n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 8/20 0.46
▸ ADORA2A P29274 6/20 0.46
▸ ADORA2B P29275 4/20 0.45
▸ ADORA1 P30542 4/20 0.45
▸ GSK3B P49841 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CXCR2 P25025 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
SCHEMBL26968399 0.89 ADORA3 (0.53) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL26968371 0.87 ADORA3 (0.60) ADORA3ADORA2AADORA2BADORA1
SCHEMBL26968688 0.86 ADORA3 (0.58) ADORA3ADORA2AADORA2BADORA1
SCHEMBL26968738 0.85 ADORA3 (0.57) ADORA3ADORA2AADORA2BADORA1
SCHEMBL26968559 0.85 ADORA3 (0.57) ADORA3ADORA2AADORA2BADORA1
SCHEMBL26968362 0.85 ADORA3 (0.57) ADORA3ADORA2AADORA2BADORA1
SCHEMBL26968703 0.81 ADORA3 (0.43) ADORA3ADORA2AADORA2BADORA1GSK3B
SCHEMBL26968545 0.80 ADORA3 (0.46) ADORA3ADORA2AADORA1GSK3BALDH1A1
SCHEMBL26968658 0.79 CXCR2 (0.37) ADORA3ADORA2AADORA2BADORA1GSK3B
SCHEMBL26968407 0.74 ADORA3 (0.71) ADORA3ADORA2AADORA2BADORA1

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 1/4885ADORA2B 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.

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