SCHEMBL29424876

SCHEMBL29424876

O=C(O)c1ccc2c(cnn2Cc2ccc(B(O)O)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.45
HCAR3 P49019 1/20 0.44
RECQL P46063 1/20 0.43
KMO O15229 1/20 0.42
EPHX2 P34913 2/20 0.41
PPARG P37231 2/20 0.41
EGFR P00533 2/20 0.39
ERBB2 P04626 2/20 0.39
HSD17B10 Q99714 1/20 0.39
TBXAS1 P24557 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
DCTPP1 Q9H773 1/20 0.38
SCN9A Q15858 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
F2 P00734 1/20 0.37

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
SCHEMBL22533582 1.00 PLA2G4A (0.45) PLA2G4AHCAR3RECQLKMOEPHX2
SCHEMBL22533686 0.89 NAMPT (0.46) RECQLKMOEPHX2PPARGEGFR
SCHEMBL29424832 0.89 NAMPT (0.46) RECQLKMOEPHX2PPARGEGFR
SCHEMBL22533728 0.86 GAA (0.46) PLA2G4AEPHX2PPARGEGFRERBB2
SCHEMBL29424857 0.86 GAA (0.46) PLA2G4AEPHX2PPARGEGFRERBB2
SCHEMBL25412241 0.86 KMO (0.54) PLA2G4AHCAR3RECQLKMOHSD17B10
SCHEMBL30614152 0.86 KMO (0.54) PLA2G4AHCAR3RECQLKMOHSD17B10
SCHEMBL30614221 0.85 RECQL (0.60) PLA2G4AHCAR3RECQLKMOEPHX2
SCHEMBL25412409 0.85 RECQL (0.60) PLA2G4AHCAR3RECQLKMOEPHX2
SCHEMBL25410467 0.85 PLA2G4A (0.47) PLA2G4AHCAR3RECQLKMOEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250041319-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC 2025-02-06 US disclosed
CN-114040915-A Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors 里伯赛恩斯有限责任公司 2022-02-11 CN 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-20250041319-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS ENPP1, ENPP3, SMPD1 PLA2G4A 213/4885HCAR3 3842/4885RECQL 378/4885

“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.