SCHEMBL24846414

SCHEMBL24846414

COc1ccc(NC(=O)CSc2ncnc3[nH]cnc23)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.57
▸ ENPP1 P22413 12/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ MAPT P10636 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ LMNA P02545 2/20 0.52
▸ USP2 O75604 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ RECQL P46063 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
SCHEMBL23120290 0.78 ENPP1 (0.86) TDP1ENPP1L3MBTL1MAPTTP53
SCHEMBL29663327 0.78 ENPP1 (0.86) TDP1ENPP1L3MBTL1MAPTTP53
SCHEMBL24846476 0.76 ENPP1 (0.68) TDP1ENPP1L3MBTL1MAPTTP53
SCHEMBL20305097 0.76 ENPP1 (0.79) ENPP1
SCHEMBL24846971 0.74 ENPP1 (0.61) TDP1ENPP1L3MBTL1MAPTTP53
SCHEMBL24846982 0.73 ENPP1 (0.62) TDP1ENPP1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL24846217 0.73 ENPP1 (0.81) ENPP1L3MBTL1
SCHEMBL24498961 0.73 ENPP1 (0.61) ENPP1L3MBTL1
SCHEMBL24847136 0.73 ALDH1A1 (0.73) TDP1ENPP1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL21803850 0.73 MAPT (0.69) ALDH1A1SMN1; SMN2MAPTLMNAHTT

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 TDP1 244/4885ENPP1 1/4885L3MBTL1 812/4885

“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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