SCHEMBL4064674

SCHEMBL4064674

Nc1nc(SC2CCCCC2)nc2[nH]cnc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 2/20 0.39
▸ CCR7 P32248 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PTPN11 Q06124 1/20 0.33
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ CDK2 P24941 2/20 0.31
▸ CCNB2 O95067 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CCNB1 P14635 1/20 0.31
▸ CCNA2 P20248 1/20 0.31
▸ MAPK3 P27361 1/20 0.31
▸ CLK1 P49759 1/20 0.31
▸ CCNA1 P78396 1/20 0.31
▸ CDK5 Q00535 1/20 0.31
▸ PIN1 Q13526 1/20 0.31
▸ CCNB3 Q8WWL7 1/20 0.31
▸ MAP3K5 Q99683 1/20 0.31
▸ PAK1 Q13153 1/20 0.31

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
SCHEMBL30716876 1.00 ADORA3 (0.39) ADORA3CCR7SMN1; SMN2PTPN11ADORA2A
SCHEMBL4065245 0.99 ADORA3 (0.40) ADORA3CCR7SMN1; SMN2PTPN11ADORA2A
SCHEMBL17595255 0.75 MAP3K5 (0.35) SMN1; SMN2PTPN11CDK2CCNB2CDK1
SCHEMBL3245634 0.75 PDE8B (0.36) CDK2CCNB2CDK1CCNB1CCNA2
SCHEMBL258582 0.73 MAP3K5 (0.37) MAP3K5
SCHEMBL17800815 0.73 PDE8B (0.35) CDK2CCNB2CDK1CCNB1CCNA2
SCHEMBL16146486 0.72 PAK1 (0.49) ADORA3ADORA2AADORA1PAK1
SCHEMBL2946030 0.71 PAK1 (0.31) PTPN11PAK1
SCHEMBL16145849 0.71 PAK1 (0.47) ADORA3ADORA2AADORA1PAK1
SCHEMBL756296 0.70 HASPIN (0.33) SMN1; SMN2CDK2CDK1CCNB1CCNA2

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 6 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
WO-2009034386-A1 DERIVATIVES OF ADENINE AND 8-AZA-ADENINE AND USES THEREOF-796 ASTRAZENECA AB (SE) 2009-03-19 — — WO disclosed
WO-2009034386-A1 DERIVATIVES OF ADENINE AND 8-AZA-ADENINE AND USES THEREOF-796 ASTRAZENECA AB (SE) 2009-03-19 — — 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 ADORA3 42/4885CCR7 884/4885SMN1; 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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