SCHEMBL30850774

SCHEMBL30850774

COc1cncc(-c2nc(NCc3ccccc3)c3ncn([C@@H]4O[C@H](C(=O)NC(C)C)[C@@H](O)[C@H]4O)c3n2)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 11/20 0.57
ADORA2A P29274 7/20 0.57
ADORA1 P30542 7/20 0.57
ADORA2B P29275 4/20 0.57
TSHR P16473 1/20 0.54
HTR2C P28335 1/20 0.49
PPARG P37231 1/20 0.49
HTR2B P41595 1/20 0.49
PPARD Q03181 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL26628552 1.00 ADORA3 (0.57) ADORA3ADORA2AADORA1ADORA2BTSHR
SCHEMBL29073704 0.92 ADORA3 (0.67) ADORA3ADORA2AADORA1ADORA2BTSHR
SCHEMBL29073707 0.92 ADORA3 (0.67) ADORA3ADORA2AADORA1ADORA2BTSHR
SCHEMBL24601374 0.92 ADORA3 (0.67) ADORA3ADORA2AADORA1ADORA2BTSHR
SCHEMBL29762259 0.92 ADORA3 (0.67) ADORA3ADORA2AADORA1ADORA2BTSHR
SCHEMBL26628623 0.91 ADORA2A (0.48) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL30850478 0.91 ADORA2A (0.48) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL30850607 0.91 ADORA3 (0.59) ADORA3ADORA2AADORA1ADORA2BTSHR
SCHEMBL30850694 0.91 TSHR (0.66) ADORA3ADORA2AADORA1ADORA2BTSHR
SCHEMBL26628595 0.91 TSHR (0.66) ADORA3ADORA2AADORA1ADORA2BTSHR

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 ADORA3 1/4885ADORA2A 2/4885ADORA1 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.