SCHEMBL29124864

SCHEMBL29124864

CCCCCCSc1nc(NC(=O)OC(C)(C)C)c2nc[nH]c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 5/20 0.41
▸ CDK2 P24941 5/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ ALPL P05186 1/20 0.39
▸ PPARG P37231 1/20 0.38
▸ LMNA P02545 4/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CXCR2 P25025 1/20 0.37
▸ CCR7 P32248 1/20 0.37
▸ XDH P47989 3/20 0.36
▸ XBP1 P17861 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ KDM6B O15054 1/20 0.34

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
SCHEMBL29124862 0.87 SYK (0.36) ALDH1A1L3MBTL1SYK
SCHEMBL27158132 0.85 PPARG (0.44) CCNE1CDK2SMN1; SMN2ALPLPPARG
SCHEMBL29124863 0.83 CXCR2 (0.39) CCNE1CDK2SMN1; SMN2ALPLPPARG
SCHEMBL29124870 0.81 SYK (0.37) KMT2AL3MBTL1SYK
SCHEMBL29124861 0.80 IDO1 (0.42) SMN1; SMN2PPARGLMNARAB9ANPC1
SCHEMBL19738337 0.75 SYK (0.39) XBP1L3MBTL1SYK
SCHEMBL19738205 0.75 SYK (0.39) L3MBTL1SYK
SCHEMBL22939319 0.75 SYK (0.39) L3MBTL1SYK
SCHEMBL29593210 0.75 SYK (0.39) L3MBTL1SYK
SCHEMBL29124874 0.75 SYK (0.39) CCR7L3MBTL1SYK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368164-A1 PURINE NUCLEOSIDES, THEIR INTERMEDIATES, AND METHODS OF PREPARATION THEREOF ASTROCYTE PHARMACEUTICALS, INC. 2024-11-07 — — US disclosed
EP-4329773-A1 PURINE NUCLEOSIDES, THEIR INTERMEDIATES, AND METHODS OF PREPARATION THEREOF Astrocyte Pharmaceuticals, Inc. (US) 2024-03-06 — — EP disclosed
CN-117241803-A Purine nucleosides, intermediates and methods of making the same 阿斯特罗赛特制药公司 2023-12-15 — — CN disclosed
WO-2022232810-A1 PURINE NUCLEOSIDES, THEIR INTERMEDIATES, AND METHODS OF PREPARATION THEREOF ASTROCYTE PHARMACEUTICALS, INC. (US) 2022-11-03 — — 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-20240368164-A1 PURINE NUCLEOSIDES, THEIR INTERMEDIATES, AND METHODS OF PREPARATION THEREOF NUDT1, PNP, UMPS CCNE1 2353/4885CDK2 954/4885SMN1; SMN2 293/4885

“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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