SCHEMBL27409201

SCHEMBL27409201

Cn1ncc2nc(C=Cc3ccccc3)nc(NCc3ccc(B(O)O)cc3)c21

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.50
HTT P42858 1/20 0.39
BCDIN3D Q7Z5W3 2/20 0.37
FYN P06241 1/20 0.36
SRC P12931 1/20 0.35
PTGS2 P35354 1/20 0.34
TP53 P04637 2/20 0.33
PDE2A O00408 1/20 0.33
BRD4 O60885 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
NR1H4 Q96RI1 1/20 0.33

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
SCHEMBL30097143 0.91 PDE5A (0.40) PDE5AHTTPTGS2
SCHEMBL27409202 0.91 PDE5A (0.40) PDE5AHTTPTGS2
SCHEMBL27409189 0.82 PDE5A (0.47) PDE5ABCDIN3DPTGS2TP53
SCHEMBL27409146 0.81 PDE2A (0.38) HTTBCDIN3DTP53PDE2ABRD4
SCHEMBL27409147 0.78 PDE2A (0.36) HTTBCDIN3DTP53PDE2A
SCHEMBL27409973 0.78 PDE4A (0.41) HTTBCDIN3DBRD4BRD9
SCHEMBL27409190 0.77 KMT2A (0.50) PDE5AHTT
SCHEMBL27409964 0.77 LPL (0.40) BCDIN3DTP53PDE2A
SCHEMBL27409196 0.76 PDE5A (0.46) PDE5APTGS2TP53
SCHEMBL27409193 0.75 MEN1 (0.52) PDE5APTGS2TP53

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 3 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
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 22/4885HTT 3703/4885BCDIN3D 233/4885

“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.