SCHEMBL30850720

SCHEMBL30850720

Oc1cncc(-c2ncc3nc[nH]c3n2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
PIK3CG P48736 1/20 0.42
HSD17B1 P14061 1/20 0.37
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
CYP17A1 P05093 1/20 0.33
CYP3A4 P08684 1/20 0.33
CDK7 P50613 1/20 0.32
PDPK1 O15530 1/20 0.31
QPCT Q16769 1/20 0.31
QPCTL Q9NXS2 1/20 0.31
METAP2 P50579 1/20 0.30
PARP1 P09874 1/20 0.30
IRAK4 Q9NWZ3 2/20 0.30

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
SCHEMBL30677421 0.82 GBA1 (0.38) PIK3CGCYP11B1CYP11B2CDK7
SCHEMBL30850641 0.79 AXL (0.41) CYP11B1CYP11B2CYP3A4QPCTQPCTL
SCHEMBL30850562 0.78 CYP11B1 (0.42) PIK3CAPIK3CGCYP11B1CYP11B2CYP17A1
SCHEMBL30850484 0.77 GPR55 (0.34) CYP11B2
SCHEMBL31547968 0.74 MAPK1 (0.41) PIK3CAPIK3CGCDK7
SCHEMBL30850686 0.74 IP6K1 (0.44) CYP3A4
SCHEMBL30850608 0.74 XDH (0.40) CYP11B1CYP11B2QPCTL
SCHEMBL30677345 0.74 QPCT (0.50) CYP3A4QPCTQPCTLMETAP2
SCHEMBL30850625 0.74 KDM4E (0.34) QPCTQPCTL
SCHEMBL3027716 0.74 QPCT (0.50) CYP3A4QPCTQPCTLMETAP2

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 PIK3CA 694/4885MTOR 3634/4885PIK3CG 907/4885

“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.