SCHEMBL27244271

SCHEMBL27244271

O=[N+]([O-])c1csc2c(Cl)ncnc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
TDP1 Q9NUW8 4/20 0.34
KDM4E B2RXH2 3/20 0.34
CUL4A Q13619 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
MAPT P10636 3/20 0.31
HTT P42858 3/20 0.31
PKM P14618 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL29985853 0.81 HSP90AA1 (0.37) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL27244251 0.81 HSP90AA1 (0.37) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL27409455 0.79 EGFR (0.35) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL865770 0.72 AXL (0.42) AXLMKNK1MKNK2ALDH1A1KMT2A
SCHEMBL29659357 0.72 AXL (0.42) AXLMKNK1MKNK2ALDH1A1KMT2A
SCHEMBL2992756 0.71 EGFR (0.56) ADORA3ALDH1A1MEN1KMT2ATDP1
SCHEMBL29722904 0.71 AXL (0.41) AXLMKNK1MKNK2KMT2AMAPT
SCHEMBL358216 0.71 NPC1 (0.50) AXLMKNK1MKNK2ALDH1A1MAPT
SCHEMBL20895572 0.71 AXL (0.41) AXLMKNK1MKNK2KMT2AMAPT
SCHEMBL12432755 0.71 AXL (0.41) AXLMKNK1MKNK2ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240209005-A1 BICYCLIC HETEROARYL BORONATE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC 2024-06-27 US disclosed
US-20240209005-A1 BICYCLIC HETEROARYL BORONATE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC 2024-06-27 US disclosed
US-20240209005-A1 BICYCLIC HETEROARYL BORONATE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC 2024-06-27 US disclosed
US-20240199661-A1 BICYCLIC HETEROARYL PHOSPHONATE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC 2024-06-20 US disclosed
WO-2022212488-A1 BICYCLIC HETEROARYL PHOSPHONATE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC (US) 2022-10-06 WO disclosed
WO-2022197734-A1 BICYCLIC HETEROARYL BORONATE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC (US) 2022-09-22 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 (2 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-20240209005-A1 BICYCLIC HETEROARYL BORONATE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS ENPP1, ENPP3, ENTPD5 AXL 3751/4885MKNK1 2422/4885MKNK2 3184/4885
US-20240199661-A1 BICYCLIC HETEROARYL PHOSPHONATE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS ENPP1, ENPP3, PDE7A AXL 4318/4885MKNK1 1147/4885MKNK2 1469/4885

“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.