SCHEMBL23120254

SCHEMBL23120254

COc1ccc(NC(=O)Cn2c(C)nc3ccccc32)cc1OC

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.81
▸ CYP2C19 P33261 1/20 0.81
▸ KDM4E B2RXH2 2/20 0.66
▸ RAB9A P51151 1/20 0.58
▸ HTT P42858 3/20 0.57
▸ USP2 O75604 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ POLB P06746 1/20 0.56
▸ LMNA P02545 3/20 0.55
▸ GSK3B P49841 3/20 0.55
▸ TSHR P16473 3/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ KMT2A Q03164 2/20 0.54
▸ NPC1 O15118 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ THRB P10828 1/20 0.53

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
SCHEMBL20715313 0.83 MAPT (0.62) ALDH1A1CYP2C19HTTHPGDPOLB
SCHEMBL20715449 0.82 KMT2A (0.76) ALDH1A1CYP2C19KDM4ERAB9AHTT
SCHEMBL1906791 0.82 BCHE (0.77) HTTTSHRTP53MAPTSMN1; SMN2
SCHEMBL2607501 0.80 GSK3B (0.69) ALDH1A1CYP2C19KDM4EHTTLMNA
SCHEMBL11400323 0.80 KDM4E (0.62) ALDH1A1CYP2C19KDM4EHTTLMNA
SCHEMBL24846628 0.75 ALDH1A1 (0.55) ALDH1A1CYP2C19KDM4EHTTPOLB
SCHEMBL12495433 0.75 ALDH1A1 (0.72) ALDH1A1CYP2C19KDM4EHTTLMNA
SCHEMBL12497263 0.75 LMNA (0.69) CYP2C19RAB9AHTTHPGDPOLB
SCHEMBL27858704 0.74 MMP2 (0.73) CYP2C19KDM4EHTTHPGDLMNA
SCHEMBL17824289 0.73 LMNA (0.66) CYP2C19RAB9AHTTHPGDPOLB

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 5 patents. 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
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
EP-4031551-A1 2-AMINO-S6-SUBSTITUTED THIOPURINE COMPOUNDS AS INHIBITORS OF THE ENPP1 PROTEIN Aten Porus Lifesciences Pvt. Ltd. (IN) 2022-07-27 — — EP disclosed
CN-114728971-A 2-amino-S6-substituted thiopurine compounds as inhibitors of ENPP1 protein 阿托恩波罗斯生命科学私人有限公司 2022-07-08 — — CN disclosed
WO-2021053507-A1 2-AMINO-S6-SUBSTITUTED THIOPURINE COMPOUNDS AS INHIBITORS OF THE ENPP1 PROTEIN ATEN PORUS LIFESCIENCES PVT. LTD. (IN) 2021-03-25 — — WO 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 3259/4885CYP2C19 3146/4885KDM4E 2771/4885

“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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