SCHEMBL26968679

SCHEMBL26968679

CCCCC#Cc1nc(N)c2nc(-c3nccn3C)[nH]c2n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 8/20 0.42
▸ ADORA2A P29274 8/20 0.41
▸ ADORA2B P29275 4/20 0.40
▸ ADORA1 P30542 3/20 0.40
▸ TLR7 Q9NYK1 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ PMP22 Q01453 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HIF1A Q16665 1/20 0.37

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
SCHEMBL26968355 0.88 ADORA3 (0.34) ADORA3ADORA2AADORA2BADORA1TLR7
SCHEMBL26968745 0.81 ADORA3 (0.46) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL26968780 0.80 ADORA3 (0.41) ADORA3ADORA2AADORA2BADORA1TLR7
SCHEMBL26968409 0.78 ADORA3 (0.46) ADORA3ADORA2AADORA2BADORA1
SCHEMBL26968613 0.78 ADORA3 (0.49) ADORA3ADORA2AADORA2BADORA1
SCHEMBL26968336 0.75 ADORA3 (0.64) ADORA3ADORA2AADORA2BADORA1
SCHEMBL26968662 0.74 ADORA3 (0.45) ADORA3ADORA2AADORA2BADORA1
SCHEMBL26968407 0.74 ADORA3 (0.71) ADORA3ADORA2AADORA2BADORA1
SCHEMBL26968382 0.74 ADORA3 (0.71) ADORA3ADORA2AADORA2BADORA1
SCHEMBL29108596 0.71 ADORA3 (0.49) ADORA3ADORA2AADORA2BADORA1ALDH1A1

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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