SCHEMBL30850694

SCHEMBL30850694

CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)nc(-c4cncc(OC)c4)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.66
ADORA3 P0DMS8 7/20 0.59
ADORA1 P30542 6/20 0.58
ADORA2B P29275 5/20 0.58
ADORA2A P29274 5/20 0.58

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
SCHEMBL26628595 1.00 TSHR (0.66) TSHRADORA3ADORA1ADORA2BADORA2A
SCHEMBL29073707 0.93 ADORA3 (0.67) TSHRADORA3ADORA1ADORA2BADORA2A
SCHEMBL29073704 0.93 ADORA3 (0.67) TSHRADORA3ADORA1ADORA2BADORA2A
SCHEMBL29762259 0.93 ADORA3 (0.67) TSHRADORA3ADORA1ADORA2BADORA2A
SCHEMBL24601374 0.93 ADORA3 (0.67) TSHRADORA3ADORA1ADORA2BADORA2A
SCHEMBL24601193 0.92 TSHR (0.55) TSHRADORA3ADORA1ADORA2BADORA2A
SCHEMBL30850453 0.92 TSHR (0.55) TSHRADORA3ADORA1ADORA2BADORA2A
SCHEMBL26628568 0.92 ADORA3 (0.59) TSHRADORA3ADORA1ADORA2BADORA2A
SCHEMBL30850607 0.92 ADORA3 (0.59) TSHRADORA3ADORA1ADORA2BADORA2A
SCHEMBL30850580 0.91 ADORA2A (0.57) TSHRADORA3ADORA1ADORA2BADORA2A

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-20240116975-A1 ADENOSINE A3 RECEPTOR AGONISTS, PREPARATION METHODS AND USES THEREOF ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2024-04-11 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-20240116975-A1 ADENOSINE A3 RECEPTOR AGONISTS, PREPARATION METHODS AND USES THEREOF ADORA3, ADORA2A, ADORA2B TSHR 188/4885ADORA3 1/4885ADORA1 4/4885

“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.