SCHEMBL27409147

SCHEMBL27409147

CC(C)c1nc(NCc2ccc(B(O)O)cc2)c2c(cnn2C)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.36
ADORA3 P0DMS8 2/20 0.34
ADORA1 P30542 2/20 0.34
TP53 P04637 2/20 0.34
BCDIN3D Q7Z5W3 6/20 0.33
HTT P42858 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
CXCR1 P25024 1/20 0.32
CXCR2 P25025 1/20 0.32
FLT1 P17948 1/20 0.31
KDR P35968 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 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
SCHEMBL27409146 0.85 PDE2A (0.38) PDE2ATP53BCDIN3DHTTCXCR1
SCHEMBL30972157 0.83 ENPP1 (0.38) PDE2AADORA3ADORA1TP53HTT
SCHEMBL27409964 0.81 LPL (0.40) PDE2ATP53BCDIN3DPDE4APDE4B
SCHEMBL27409189 0.81 PDE5A (0.47) TP53BCDIN3DPDE4APDE4BPDE4C
SCHEMBL27409973 0.80 PDE4A (0.41) ADORA3ADORA1BCDIN3DHTTPDE4A
SCHEMBL27409196 0.80 PDE5A (0.46) ADORA1TP53PDE4APDE4BPDE4C
SCHEMBL27409165 0.79 TP53 (0.46) PDE2ATP53HTTPOLBRAB9A
SCHEMBL27409201 0.78 PDE5A (0.50) PDE2ATP53BCDIN3DHTT
SCHEMBL30097183 0.77 MEN1 (0.36) PDE2ATP53CXCR1CXCR2NPC1
SCHEMBL27409190 0.77 KMT2A (0.50) HTTNPC1

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 PDE2A 27/4885ADORA3 946/4885ADORA1 782/4885

“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.