SCHEMBL27409253

SCHEMBL27409253

CNC(=O)c1c[nH]c2c(NCc3ccc(B(O)O)cc3)nc(C)nc12

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.34
ADORA2A P29274 7/20 0.34
ADORA1 P30542 5/20 0.34
CXCR1 P25024 2/20 0.34
CXCR2 P25025 2/20 0.34
NPY5R Q15761 1/20 0.34
KMT2A Q03164 1/20 0.33
STAT6 P42226 1/20 0.33
MAPT P10636 1/20 0.32
HSD17B10 Q99714 1/20 0.32
BDKRB1 P46663 1/20 0.32
KDR P35968 1/20 0.32

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
SCHEMBL27409242 0.84 AURKA (0.40) CXCR1CXCR2MAPT
SCHEMBL30955195 0.82 KDR (0.35) ADORA2AADORA1NPY5RHSD17B10KDR
SCHEMBL30097138 0.74 PRMT1 (0.38) TRPV1CXCR1CXCR2MAPT
SCHEMBL27409273 0.74 PRMT1 (0.38) TRPV1CXCR1CXCR2MAPT
SCHEMBL27409278 0.73 CCNB2 (0.39) MAPT
SCHEMBL30097279 0.73 CCNB2 (0.39) MAPT
SCHEMBL30097225 0.71 HDAC6 (0.36) CXCR1CXCR2
SCHEMBL27409283 0.71 HDAC6 (0.36) CXCR1CXCR2
SCHEMBL27410371 0.71 EGFR (0.43) KMT2AMAPTHSD17B10
SCHEMBL30097217 0.71 RPS6KB1 (0.48)

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 TRPV1 4250/4885ADORA2A 828/4885ADORA1 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.