SCHEMBL27409153

SCHEMBL27409153

CC(=O)Nc1csc2c(NCc3ccc(B(O)O)cc3)ncnc12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKA O14965 11/20 0.40
RPS6KB1 P23443 10/20 0.40
EGFR P00533 2/20 0.39
PDE11A Q9HCR9 2/20 0.38
CXCR1 P25024 2/20 0.37
CXCR2 P25025 2/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
AURKB Q96GD4 1/20 0.35
SLC29A1 Q99808 1/20 0.35

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
SCHEMBL30955122 1.00 AURKA (0.40) AURKARPS6KB1EGFRPDE11ACXCR1
SCHEMBL30097291 0.90 EGFR (0.42) AURKARPS6KB1EGFRPDE11ACXCR1
SCHEMBL27409145 0.90 EGFR (0.42) AURKARPS6KB1EGFRPDE11ACXCR1
SCHEMBL27409170 0.89 PDE11A (0.40) AURKARPS6KB1EGFRPDE11ACXCR1
SCHEMBL27409178 0.86 EGFR (0.37) AURKARPS6KB1EGFRCXCR1CXCR2
SCHEMBL27409171 0.86 PDPK1 (0.47) AURKARPS6KB1EGFRCXCR1CXCR2
SCHEMBL30972173 0.84 ENPP1 (0.46) AURKARPS6KB1EGFRPDE11APDE4A
SCHEMBL27244262 0.84 ENPP1 (0.46) AURKARPS6KB1EGFRPDE11APDE4A
SCHEMBL30097221 0.81 AURKA (0.41) AURKARPS6KB1
SCHEMBL30097173 0.81 AURKA (0.40) AURKARPS6KB1EGFRCXCR1CXCR2

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 2 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

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 AURKA 3480/4885RPS6KB1 1181/4885EGFR 4139/4885

“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.