SCHEMBL27409178

SCHEMBL27409178

O=CNc1csc2c(NCc3ccc(B(O)O)cc3)ncnc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 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
AURKA O14965 9/20 0.36
RPS6KB1 P23443 9/20 0.36
CXCR1 P25024 2/20 0.34
CXCR2 P25025 2/20 0.34
CHRM4 P08173 3/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
HDAC6 Q9UBN7 1/20 0.32
AURKB Q96GD4 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 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
SCHEMBL27409153 0.86 AURKA (0.40) EGFRPDE4APDE4BPDE4CPDE4D
SCHEMBL30955122 0.86 AURKA (0.40) EGFRPDE4APDE4BPDE4CPDE4D
SCHEMBL27409145 0.84 EGFR (0.42) EGFRPDE4APDE4BPDE4CPDE4D
SCHEMBL30097291 0.84 EGFR (0.42) EGFRPDE4APDE4BPDE4CPDE4D
SCHEMBL27409170 0.83 PDE11A (0.40) EGFRPDE4APDE4BPDE4CPDE4D
SCHEMBL27409171 0.83 PDPK1 (0.47) EGFRPDE4APDE4BPDE4CPDE4D
SCHEMBL27409305 0.81 EGFR (0.40) EGFRPDE4APDE4BPDE4CPDE4D
SCHEMBL27409462 0.80 EGFR (0.38) EGFRPDE4APDE4BPDE4CPDE4D
SCHEMBL30955161 0.80 EGFR (0.38) EGFRPDE4APDE4BPDE4CPDE4D
SCHEMBL30097184 0.79 EGFR (0.43) EGFRPDE4APDE4BPDE4CPDE4D

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
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 EGFR 4139/4885PDE4A 13/4885PDE4B 26/4885

“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.