SCHEMBL26628443

SCHEMBL26628443

CONC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cc(C)ccn4)nc(-c4cncc(Cl)c4)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 16/20 0.55
ADORA2A P29274 6/20 0.55
ADORA1 P30542 6/20 0.55
ADORA2B P29275 4/20 0.48
MAPK1 P28482 3/20 0.46
MAPT P10636 2/20 0.46
TP53 P04637 2/20 0.46
NPC1 O15118 1/20 0.46
GMNN O75496 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
THRB P10828 1/20 0.46
HPGD P15428 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL30850511 1.00 ADORA3 (0.55) ADORA3ADORA2AADORA1ADORA2BMAPK1
SCHEMBL30850547 0.94 ADORA3 (0.53) ADORA3ADORA2AADORA1ADORA2BMAPK1
SCHEMBL26628543 0.94 ADORA3 (0.53) ADORA3ADORA2AADORA1ADORA2BMAPK1
SCHEMBL29073763 0.93 ADORA3 (0.55) ADORA3ADORA2AADORA1ADORA2BMAPK1
SCHEMBL29073765 0.93 ADORA3 (0.55) ADORA3ADORA2AADORA1ADORA2BMAPK1
SCHEMBL24600690 0.93 ADORA3 (0.55) ADORA3ADORA2AADORA1ADORA2BMAPK1
SCHEMBL29762095 0.93 ADORA3 (0.55) ADORA3ADORA2AADORA1ADORA2BMAPK1
SCHEMBL30850629 0.91 ADORA3 (0.49) ADORA3ADORA2AADORA1ADORA2BMAPK1
SCHEMBL24600688 0.91 ADORA3 (0.56) ADORA3ADORA2AADORA1ADORA2BTSHR
SCHEMBL30850713 0.91 ADORA3 (0.56) 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 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 2/4885ADORA1 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.