SCHEMBL26968336

SCHEMBL26968336

CCCCC#Cc1nc(N)c2nc(C#CCCCC)[nH]c2n1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 11/20 0.64
▸ ADORA2A P29274 10/20 0.43
▸ ADORA2B P29275 5/20 0.43
▸ ADORA1 P30542 4/20 0.43

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
SCHEMBL26968502 0.83 ADORA3 (0.51) ADORA3ADORA2AADORA2BADORA1
SCHEMBL26968541 0.82 ADORA3 (0.67) ADORA3ADORA2AADORA2BADORA1
SCHEMBL26968689 0.81 ADORA3 (0.45) ADORA3ADORA2AADORA2BADORA1
SCHEMBL26968745 0.79 ADORA3 (0.46) ADORA3ADORA2AADORA2BADORA1
SCHEMBL26968409 0.78 ADORA3 (0.46) ADORA3ADORA2AADORA2BADORA1
SCHEMBL29108596 0.77 ADORA3 (0.49) ADORA3ADORA2AADORA2BADORA1
SCHEMBL26968625 0.76 ADORA3 (0.70) ADORA3ADORA2AADORA2BADORA1
SCHEMBL26968540 0.76 ADORA3 (0.48) ADORA3ADORA2AADORA2BADORA1
SCHEMBL26968465 0.76 ADORA3 (0.48) ADORA3ADORA2AADORA2BADORA1
SCHEMBL26968654 0.76 ADORA3 (0.46) 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 3 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
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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