SCHEMBL24846273

SCHEMBL24846273

Nc1nc(SCC(=O)Nc2nc3ccccc3s2)c2[nH]cnc2n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 3/20 0.68
▸ MAPT P10636 9/20 0.52
▸ RAB9A P51151 5/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ LMNA P02545 3/20 0.51
▸ MAPK1 P28482 3/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ RXFP1 Q9HBX9 2/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ TP53 P04637 2/20 0.51
▸ ATM Q13315 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ HPGD P15428 2/20 0.50

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
SCHEMBL24846480 0.81 ENPP1 (1.00) ENPP1MAPTALDH1A1SMN1; SMN2CYP1A2
SCHEMBL24846430 0.81 CYP2C19 (0.56) ENPP1MAPTRAB9AALDH1A1NPC1
SCHEMBL24846278 0.79 ENPP1 (0.68) ENPP1MAPTRAB9AALDH1A1NPC1
SCHEMBL24846260 0.78 ENPP1 (0.64) ENPP1MAPTRAB9AALDH1A1NPC1
SCHEMBL24846498 0.77 ENPP1 (0.82) ENPP1ALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL24846382 0.77 ENPP1 (0.84) ENPP1MAPTRAB9AALDH1A1NPC1
SCHEMBL24847265 0.76 ENPP1 (0.80) ENPP1MAPTALDH1A1SMN1; SMN2CYP1A2
SCHEMBL24846493 0.76 ENPP1 (0.73) ENPP1ALDH1A1SMN1; SMN2LMNACYP1A2
SCHEMBL24846557 0.75 ENPP1 (0.79) ENPP1MAPTALDH1A1KMT2ACYP1A2
SCHEMBL965696 0.75 KMT2A (0.70) MAPTRAB9AALDH1A1NPC1SMN1; SMN2

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 1/4885MAPT 2774/4885RAB9A 1241/4885

“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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