SCHEMBL27409396

SCHEMBL27409396

OB(O)c1ccc(CNc2nc(-c3ccccc3)nc3cn[nH]c23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 9/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
GBA1 P04062 2/20 0.49
ATM Q13315 1/20 0.49
LMNA P02545 3/20 0.48
MAPT P10636 1/20 0.48
PDE4A P27815 2/20 0.45
PDE4B Q07343 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 0.45
CYP1A2 P05177 4/20 0.43
CYP3A4 P08684 4/20 0.43
CYP2D6 P10635 4/20 0.43
CYP2C19 P33261 4/20 0.43
ALDH1A1 P00352 3/20 0.43
TSHR P16473 3/20 0.43
PTGS1 P23219 2/20 0.43
TBXAS1 P24557 2/20 0.43
PTGS2 P35354 2/20 0.43

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
SCHEMBL27409392 0.79 CCNB2 (0.34) PDE4APDE4BPDE4CPDE4DHSD17B10
SCHEMBL27409249 0.76 LMNA (0.44) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL27409189 0.76 PDE5A (0.47) PDE5AMEN1KMT2AGBA1ATM
Formic Acid SCHEMBL30097166 0.74 CXCR1 (0.32) PDE4APDE4BPDE4CPDE4DHSD17B10
SCHEMBL27409993 0.69 HDAC6 (0.40) CYP3A4
SCHEMBL14320545 0.69 JAK2 (0.52) PDE5AMEN1KMT2ALMNAMAPT
SCHEMBL14320460 0.68 AURKA (0.44) PDE5AMEN1KMT2A
SCHEMBL14320484 0.68 ABCG2 (0.65) PDE5AMEN1KMT2AMAPTPDE4B
SCHEMBL1083763 0.67 PDE5A (1.00) PDE5AMEN1KMT2AGBA1ATM
SCHEMBL27409193 0.67 MEN1 (0.52) PDE5AMEN1KMT2AGBA1LMNA

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-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
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 (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-20240209005-A1 BICYCLIC HETEROARYL BORONATE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS ENPP1, ENPP3, ENTPD5 PDE5A 22/4885MEN1 1542/4885KMT2A 3772/4885

“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.