SCHEMBL24847136

SCHEMBL24847136

COc1cc(NC(=O)CSc2ncnc3[nH]ncc23)ccc1O

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.73
▸ MAPT P10636 5/20 0.62
▸ MAPK1 P28482 2/20 0.62
▸ ENPP1 P22413 6/20 0.59
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ HTT P42858 5/20 0.53
▸ POLB P06746 2/20 0.51
▸ GSK3B P49841 1/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ PKM P14618 1/20 0.45

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
SCHEMBL24846974 0.87 ENPP1 (0.67) ALDH1A1MAPTMAPK1ENPP1SMN1; SMN2
SCHEMBL6844786 0.78 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1GSK3B
SCHEMBL839165 0.76 ALDH1A1 (0.69) ALDH1A1MAPTMAPK1ENPP1SMN1; SMN2
SCHEMBL24846407 0.74 ENPP1 (1.00) ENPP1TDP1L3MBTL1
SCHEMBL24847225 0.74 ENPP1 (0.83) MAPTENPP1TDP1L3MBTL1
SCHEMBL838331 0.73 ALDH1A1 (0.66) ALDH1A1MAPTMAPK1SMN1; SMN2HTT
SCHEMBL24846414 0.73 TDP1 (0.57) ALDH1A1MAPTENPP1SMN1; SMN2HTT
SCHEMBL24846438 0.72 ENPP1 (0.79) MAPTENPP1TDP1L3MBTL1
SCHEMBL24846440 0.72 ENPP1 (0.68) ALDH1A1MAPTENPP1SMN1; SMN2HTT
SCHEMBL24846238 0.71 ENPP1 (0.77) MAPTENPP1TDP1L3MBTL1

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 ALDH1A1 3259/4885MAPT 2774/4885MAPK1 971/4885

“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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