SCHEMBL26628610

SCHEMBL26628610

Cc1cncc(-c2nc(NCc3ccccc3)c3ncn([C@@H]4O[C@H](C(=O)NCC(F)(F)F)[C@@H](O)[C@H]4O)c3n2)c1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 12/20 0.57
ADORA2A P29274 4/20 0.57
ADORA2B P29275 4/20 0.57
ADORA1 P30542 4/20 0.57
TSHR P16473 1/20 0.55

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
SCHEMBL30850598 1.00 ADORA3 (0.57) ADORA3ADORA2AADORA2BADORA1TSHR
SCHEMBL24600882 0.92 ADORA3 (0.56) ADORA3ADORA2AADORA2BADORA1TSHR
SCHEMBL30850711 0.92 TSHR (0.67) ADORA3ADORA2AADORA2BADORA1TSHR
SCHEMBL26628521 0.92 TSHR (0.67) ADORA3ADORA2AADORA2BADORA1TSHR
SCHEMBL30850453 0.91 TSHR (0.55) ADORA3ADORA2AADORA2BADORA1TSHR
SCHEMBL24601193 0.91 TSHR (0.55) ADORA3ADORA2AADORA2BADORA1TSHR
SCHEMBL29073496 0.90 ADORA3 (0.70) ADORA3ADORA2AADORA2BADORA1TSHR
SCHEMBL24601053 0.90 ADORA3 (0.70) ADORA3ADORA2AADORA2BADORA1TSHR
SCHEMBL29073499 0.90 ADORA3 (0.70) ADORA3ADORA2AADORA2BADORA1TSHR
SCHEMBL30850596 0.90 ADORA3 (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116975-A1 ADENOSINE A3 RECEPTOR AGONISTS, PREPARATION METHODS AND USES THEREOF ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2024-04-11 US disclosed
EP-4273153-A1 ADENOSINE A3 RECEPTOR AGONISTS, PREPARATION METHODS AND USES THEREOF Zhejiang Vimgreen Pharmaceuticals, Ltd (CN) 2023-11-08 EP 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-20240116975-A1 ADENOSINE A3 RECEPTOR AGONISTS, PREPARATION METHODS AND USES THEREOF ADORA3, ADORA2A, ADORA2B ADORA3 1/4885ADORA2A 2/4885ADORA2B 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.