SCHEMBL25440296

SCHEMBL25440296

CC1(C)OB(c2ccn3nc(NC(=O)O)nc3c2)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 7/20 0.38
HIF1A Q16665 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
PDGFRB P09619 2/20 0.35
KDR P35968 2/20 0.35
TTK P33981 3/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL20602162 0.79 IRAK4 (0.38) CA1CA2CA9IDO1TDO2
SCHEMBL26906352 0.77 MAP4K4 (0.41) HIF1APIK3CDPIK3CAPIK3CGPDGFRB
SCHEMBL3308241 0.76 PIK3CG (0.39) PIK3CDPIK3CAPIK3CBPIK3CGCA1
SCHEMBL20620666 0.75 LIPG (0.34) HIF1AIRAK4
SCHEMBL31458748 0.75 MAPK1 (0.35) IRAK4
SCHEMBL31489632 0.74 IRAK4 (0.35) IDO1TDO2IRAK4
SCHEMBL20839881 0.72 TDP2 (0.56) TDP2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL935986 0.72 PIK3CG (0.53) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL27183790 0.71 BACE1 (0.43)
SCHEMBL24303465 0.71 BACE1 (0.44) HIF1A

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-11767322-B2 Triazolopyridinyl compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-09-26 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-11767322-B2 Triazolopyridinyl compounds as kinase inhibitors RIPK1, RIPK3, RIPK4 TDP2 1113/4885HIF1A 3603/4885PIK3CD 291/4885

“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.