SCHEMBL27244262

SCHEMBL27244262

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.46
AURKA O14965 9/20 0.40
RPS6KB1 P23443 8/20 0.40
EGFR P00533 2/20 0.39
PDE11A Q9HCR9 2/20 0.37
AURKB Q96GD4 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 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
SCHEMBL30972173 1.00 ENPP1 (0.46) ENPP1AURKARPS6KB1EGFRPDE11A
SCHEMBL27244292 0.87 PDE11A (0.38) ENPP1AURKARPS6KB1EGFRPDE11A
SCHEMBL30955122 0.84 AURKA (0.40) AURKARPS6KB1EGFRPDE11AAURKB
SCHEMBL27409153 0.84 AURKA (0.40) AURKARPS6KB1EGFRPDE11AAURKB
SCHEMBL27409145 0.74 EGFR (0.42) AURKARPS6KB1EGFRPDE11APDE4A
SCHEMBL30097291 0.74 EGFR (0.42) AURKARPS6KB1EGFRPDE11APDE4A
SCHEMBL27409170 0.73 PDE11A (0.40) AURKARPS6KB1EGFRPDE11APDE4A
SCHEMBL27409171 0.73 PDPK1 (0.47) AURKARPS6KB1EGFRAURKBHDAC1
SCHEMBL27409178 0.70 EGFR (0.37) AURKARPS6KB1EGFRAURKBHDAC6
SCHEMBL29985076 0.68 ENPP1 (0.50) ENPP1AURKARPS6KB1EGFRAURKB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199661-A1 BICYCLIC HETEROARYL PHOSPHONATE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC 2024-06-20 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-20240199661-A1 BICYCLIC HETEROARYL PHOSPHONATE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS ENPP1, ENPP3, PDE7A ENPP1 1/4885AURKA 3390/4885RPS6KB1 847/4885

“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.