SCHEMBL20533682

SCHEMBL20533682

Cc1nc(C)n2cc(B3OC(C)(C)C(C)(C)O3)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 12/20 0.39
LIPG Q9Y5X9 12/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
FFAR1 O14842 1/20 0.38
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CA12 O43570 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
F11 P03951 2/20 0.33
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32

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
SCHEMBL31731084 0.85 LPL (0.43) LPLLIPGIRAK4FFAR1CA1
SCHEMBL15332799 0.78 IRAK4 (0.43) LPLLIPGIRAK4FFAR1CA1
SCHEMBL1872211 0.74 LPL (0.40) LPLLIPGIRAK4FFAR1CA1
SCHEMBL31731068 0.73 LPL (0.42) LPLLIPGIRAK4FFAR1CA1
SCHEMBL25317508 0.70 LPL (0.42) LPLLIPGIRAK4CA1CA2
SCHEMBL20600818 0.70 LPL (0.39) LPLLIPGIRAK4FFAR1CA1
SCHEMBL6584423 0.69 MAPT (0.44) LPLLIPGIRAK4IDO1TDO2
SCHEMBL14658714 0.68 LPL (0.40) LPLLIPGIRAK4FFAR1CA1
SCHEMBL228212 0.68 LPL (0.71) LPLLIPGCA1CA2CA9
SCHEMBL18319170 0.67 SCN5A (0.51) LPLLIPGFFAR1F11F2

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-20180298009-A1 Fused Pyrazole Derivatives As Kinase Inhibitors UCB BIOPHARMA SPRL (BE) 2018-10-18 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-20180298009-A1 Fused Pyrazole Derivatives As Kinase Inhibitors PI4KA, PI4K2B, PI4KB LPL 4376/4885LIPG 1882/4885IRAK4 140/4885

“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.