SCHEMBL24846238

SCHEMBL24846238

COc1cc(NC(=O)CSc2nc(NC(C)=O)nc3nc[nH]c23)ccc1O

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 14/20 0.77
▸ HPGD P15428 1/20 0.47
▸ XBP1 P17861 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PDPK1 O15530 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL24847225 0.89 ENPP1 (0.83) ENPP1HPGDXBP1NPSR1TDP1
SCHEMBL24846407 0.87 ENPP1 (1.00) ENPP1HPGDXBP1NPSR1TDP1
SCHEMBL24846443 0.87 ENPP1 (0.72) ENPP1HPGDXBP1NPSR1TDP1
SCHEMBL24846438 0.86 ENPP1 (0.79) ENPP1HPGDXBP1NPSR1TDP1
SCHEMBL24847222 0.80 ENPP1 (0.69) ENPP1HPGDXBP1NPSR1TDP1
SCHEMBL24846419 0.80 ENPP1 (0.86) ENPP1HPGDL3MBTL1
SCHEMBL23120290 0.80 ENPP1 (0.86) ENPP1TDP1TP53MAPTL3MBTL1
SCHEMBL29663327 0.80 ENPP1 (0.86) ENPP1TDP1TP53MAPTL3MBTL1
SCHEMBL24846476 0.80 ENPP1 (0.68) ENPP1TDP1TP53MAPTL3MBTL1
SCHEMBL24847240 0.79 ENPP1 (0.83) ENPP1HPGDPDPK1JAK2FLT3

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 1/4885HPGD 1522/4885XBP1 1151/4885

“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.

Send feedback