SCHEMBL26969054

SCHEMBL26969054

CCCNc1cc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)NC)C[C@H]12

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 17/20 0.70
▸ ADORA1 P30542 13/20 0.70
▸ HTR2B P41595 6/20 0.70
▸ SLC6A3 Q01959 2/20 0.70
▸ HSP90B1 P14625 1/20 0.63
▸ TMIGD3 P0DMS9 3/20 0.63
▸ ADRB3 P13945 1/20 0.62
▸ SLC6A2 P23975 1/20 0.62
▸ HTR2C P28335 1/20 0.61
▸ ADORA2A P29274 5/20 0.59
▸ TMEM97 Q5BJF2 2/20 0.59

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
SCHEMBL29575011 1.00 ADORA3 (0.70) ADORA3ADORA1HTR2BSLC6A3HSP90B1
SCHEMBL29573850 0.94 ADORA3 (0.63) ADORA3ADORA1HTR2BSLC6A3HSP90B1
SCHEMBL29573481 0.94 ADORA3 (0.70) ADORA3ADORA1HTR2BSLC6A3HSP90B1
SCHEMBL29573284 0.90 ADORA3 (0.62) ADORA3ADORA1HTR2BSLC6A3HSP90B1
SCHEMBL29573830 0.90 ADORA3 (0.62) ADORA3ADORA1HTR2BSLC6A3HSP90B1
SCHEMBL29574083 0.88 ADORA3 (0.63) ADORA3ADORA1HTR2BSLC6A3HSP90B1
SCHEMBL29573974 0.86 HSP90B1 (0.69) ADORA3ADORA1HTR2BSLC6A3HSP90B1
SCHEMBL29574286 0.84 HSP90B1 (0.74) ADORA3ADORA1HTR2BHSP90B1TMIGD3
SCHEMBL29574318 0.84 ADORA3 (0.53) ADORA3ADORA1HTR2BSLC6A3HSP90B1
SCHEMBL29574049 0.81 ADORA3 (0.72) ADORA3ADORA1HTR2BSLC6A3HSP90B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230416245-A1 ADENOSINE ANALOGS FOR THE TREATMENT OF DISEASE BIOINTERVENE, INC. 2023-12-28 — — US 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-20230416245-A1 ADENOSINE ANALOGS FOR THE TREATMENT OF DISEASE ADORA2A, ADA, ADORA2B ADORA3 5/4885ADORA1 6/4885HTR2B 521/4885

“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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