SCHEMBL23712840

SCHEMBL23712840

Cc1ccnn1-c1cc(N)cc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.36
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
LPL P06858 5/20 0.33
LIPG Q9Y5X9 5/20 0.33
FFAR1 O14842 1/20 0.32
PDGFRB P09619 1/20 0.31
KDR P35968 1/20 0.31
F11 P03951 1/20 0.31
IDO1 P14902 1/20 0.30
TDO2 P48775 1/20 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
SCHEMBL30345315 1.00 IRAK4 (0.36) IRAK4CA1CA2CA9CA12
SCHEMBL30345282 0.81 POLB (0.39) IRAK4
SCHEMBL23712839 0.81 POLB (0.39) IRAK4
SCHEMBL15299280 0.80 LPL (0.45) IRAK4CA1CA2CA9CA12
SCHEMBL23712838 0.76 TDO2 (0.33) IRAK4LPLLIPGFFAR1TDO2
SCHEMBL30345421 0.76 TDO2 (0.33) IRAK4LPLLIPGFFAR1TDO2
SCHEMBL19813786 0.74 LPL (0.44) CA1CA2CA9CA12CA3
SCHEMBL31413309 0.72 KDM5A (0.35) KDM5AKDM4CKDM5B
SCHEMBL1981189 0.71 ALDH1A1 (0.46) CA1CA2CA9CA12CA3
SCHEMBL15056824 0.70 KAT6A (0.34) IRAK4LPLLIPGKDM5AKDM4C

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230126352-A1 MACROCYCLIC RIP2-KINASE INHIBITORS ONCODESIGN SA (FR) 2023-04-27 US disclosed
US-20230126352-A1 MACROCYCLIC RIP2-KINASE INHIBITORS ONCODESIGN SA (FR) 2023-04-27 US disclosed
US-20230126352-A1 MACROCYCLIC RIP2-KINASE INHIBITORS ONCODESIGN SA (FR) 2023-04-27 US disclosed
WO-2021152165-A1 MACROCYCLIC RIP2-KINASE INHIBITORS ONCODESIGN S.A. (FR) 2021-08-05 WO 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-20230126352-A1 MACROCYCLIC RIP2-KINASE INHIBITORS RIPK2, RIPK1, RIPK3 IRAK4 52/4885CA1 4459/4885CA2 3767/4885

“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.