SCHEMBL6426233

SCHEMBL6426233

CSc1nc(N)c2ccc(=O)n(C3OC(CO)C(O)C3O)c2n1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ CYP1A2 P05177 1/20 0.45
▸ HSPA5 P11021 2/20 0.44
▸ HSPA8 P11142 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ MTOR P42345 1/20 0.44
▸ MDM2 Q00987 1/20 0.44
▸ NCOA1 Q15788 1/20 0.44
▸ NCOA3 Q9Y6Q9 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ HBB P68871 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ PNP P00491 1/20 0.43

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
SCHEMBL6380424 0.81 ADORA2A (0.43) KDM4EPKMCYP1A2ADORA3
SCHEMBL6840004 0.79 HSPA8 (0.60) HSPA5HSPA8LMNATP53HBB
SCHEMBL18089839 0.73 ADORA3 (0.73) LMNAADORA3
SCHEMBL2461486 0.73 ADORA3 (0.73) LMNAADORA3
SCHEMBL10073439 0.73 ADORA3 (0.73) LMNAADORA3
SCHEMBL2461484 0.73 ADORA3 (0.73) LMNAADORA3
SCHEMBL8761320 0.72 KDM4E (0.53) KDM4EPKMADORA3
Phosphoric Acid SCHEMBL3490778 0.71 P2RY1 (0.73) LMNAADORA3
Phosphoric Acid SCHEMBL2020883 0.71 P2RY1 (0.73) LMNAADORA3
Pyrophosphoric Acid SCHEMBL3227391 0.69 P2RY1 (0.79) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501850-A2 NUCLEOSIDE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION GENELABS TECHNOLOGIES, INC. (US) 2005-02-02 — — EP claimed
US-20040063658-A1 Nucleoside derivatives for treating hepatitis C virus infection GENELABS TECHNOLOGIES, INC. 2004-04-01 — — US claimed
WO-2003093290-A2 NUCLEOSIDE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION GENELABS TECHNOLOGIES, INC. (US) 2003-11-13 — — WO claimed

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-20040063658-A1 Nucleoside derivatives for treating hepatitis C virus infection HAVCR2, PNP, NTPCR KDM4E 4438/4885PKM 3148/4885CYP1A2 1946/4885

“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