SCHEMBL24846476

SCHEMBL24846476

COc1ccc(NC(=O)CSc2nc(Cl)nc3nc[nH]c23)cc1OC

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 16/20 0.68
▸ TDP1 Q9NUW8 1/20 0.53
▸ MAPT P10636 2/20 0.52
▸ TP53 P04637 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ ENPP3 O14638 1/20 0.51
▸ ENPP2 Q13822 1/20 0.51

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
SCHEMBL29663327 0.89 ENPP1 (0.86) ENPP1TDP1MAPTTP53L3MBTL1
SCHEMBL23120290 0.89 ENPP1 (0.86) ENPP1TDP1MAPTTP53L3MBTL1
SCHEMBL24846219 0.84 ENPP1 (0.79) ENPP1MAPTTP53L3MBTL1
SCHEMBL24847293 0.83 ENPP1 (0.80) ENPP1TDP1MAPTTP53L3MBTL1
SCHEMBL24846220 0.83 ENPP1 (0.80) ENPP1TDP1MAPTTP53L3MBTL1
SCHEMBL24847225 0.83 ENPP1 (0.83) ENPP1TDP1MAPTTP53L3MBTL1
SCHEMBL24847296 0.82 ENPP1 (0.78) ENPP1TDP1MAPTTP53L3MBTL1
SCHEMBL24846218 0.82 ENPP1 (0.78) ENPP1TDP1MAPTTP53L3MBTL1
SCHEMBL24846217 0.82 ENPP1 (0.81) ENPP1L3MBTL1
SCHEMBL24846483 0.81 ENPP1 (0.70) ENPP1MAPTTP53

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-20230002387-A1 2-AMINO-S6-SUBSTITUTED THIOPURINE COMPOUNDS AS INHIBITORS OF THE ENPP1 PROTEIN ATEN PORUS LIFESCIENCES PVT. LTD. (IN) 2023-01-05 — — 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-20230002387-A1 2-AMINO-S6-SUBSTITUTED THIOPURINE COMPOUNDS AS INHIBITORS OF THE ENPP1 PROTEIN ENPP1, ENPP3, PNP ENPP1 1/4885TDP1 244/4885MAPT 2774/4885

“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.

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