SCHEMBL27409196

SCHEMBL27409196

Cn1ncc2nc(-c3ccncc3)nc(NCc3ccc(B(O)O)cc3)c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.46
PTGS1 P23219 2/20 0.46
TBXAS1 P24557 2/20 0.46
PTGS2 P35354 2/20 0.46
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
LATS1 O95835 8/20 0.39
LATS2 Q9NRM7 8/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
PRKCH P24723 1/20 0.38
PRKCE Q02156 1/20 0.38
PRKCD Q05655 1/20 0.38
GBA1 P04062 3/20 0.37
TSHR P16473 2/20 0.37
IRAK1 P51617 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
SCHEMBL27409189 0.91 PDE5A (0.47) PDE5APTGS1TBXAS1PTGS2PDE4A
SCHEMBL27409193 0.89 MEN1 (0.52) PDE5APTGS1TBXAS1PTGS2PDE4A
SCHEMBL30097183 0.85 MEN1 (0.36) PDE5APTGS1TBXAS1PTGS2MEN1
SCHEMBL27409200 0.85 MEN1 (0.36) PDE5APTGS1TBXAS1PTGS2MEN1
SCHEMBL27409190 0.83 KMT2A (0.50) PDE5AMEN1KMT2AALDH1A1LMNA
SCHEMBL27409146 0.82 PDE2A (0.38) CYP3A4TP53MAPK1
SCHEMBL27409147 0.80 PDE2A (0.36) PDE4APDE4BPDE4CPDE4DADORA1
SCHEMBL27409964 0.79 LPL (0.40) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL27409165 0.77 TP53 (0.46) MEN1KMT2ATSHRPOLBLMNA
SCHEMBL30097143 0.77 PDE5A (0.40) PDE5APTGS1PTGS2MEN1KMT2A

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 22/4885PTGS1 697/4885TBXAS1 193/4885

“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.