SCHEMBL30850686

SCHEMBL30850686

c1ccc(COc2cncc(-c3ncc4nc[nH]c4n3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.44
CHRNB2 P17787 3/20 0.43
CHRNA4 P43681 3/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
CHRNA7 P36544 2/20 0.43
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
SIRT2 Q8IXJ6 4/20 0.37
CYP3A4 P08684 1/20 0.37
SIRT1 Q96EB6 3/20 0.37
SIRT3 Q9NTG7 2/20 0.37
XDH P47989 1/20 0.37
ALOX5 P09917 1/20 0.37
GSTP1 P09211 1/20 0.36
PRKACA P17612 2/20 0.36
PRKACG P22612 2/20 0.36
PRKACB P22694 2/20 0.36
AKT1 P31749 2/20 0.36

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
SCHEMBL30850608 0.84 XDH (0.40) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL30850641 0.80 AXL (0.41) CHRNA7CYP3A4
SCHEMBL30850562 0.79 CYP11B1 (0.42) CYP3A4
SCHEMBL18486391 0.76 IP6K1 (0.48) IP6K1CYP3A4ALOX5
SCHEMBL680853 0.75 NPC1 (0.45) CYP3A4
SCHEMBL30850720 0.74 PIK3CA (0.42) CYP3A4
SCHEMBL5440110 0.74 CYP1A2 (0.48) IP6K1CYP3A4
Hydrochloric Acid SCHEMBL4456673 0.74 NPC1 (0.44) CYP3A4
SCHEMBL12458012 0.72 GP6 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL30677421 0.72 GBA1 (0.38)

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 IP6K1 639/4885CHRNB2 270/4885CHRNA4 168/4885

“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.