SCHEMBL23340478

SCHEMBL23340478

CN1COCN(C)c2nc(N3CCNCC3)n(Cc3coc(-c4ccc(Cl)c(Cl)c4)n3)c2C1=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NUDT5 Q9UKK9 1/20 0.46
▸ HTR2C P28335 6/20 0.37
▸ DPP4 P27487 4/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ STAT6 P42226 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ SIRT5 Q9NXA8 1/20 0.33
▸ PTPN11 Q06124 1/20 0.32
▸ SOS1 Q07889 2/20 0.32
▸ NMT1 P30419 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
SCHEMBL23340495 0.85 DRD2 (0.32) NUDT5LMNASTAT6SMN1; SMN2
SCHEMBL23340704 0.79 NUDT5 (0.56) NUDT5HTR2CDPP4L3MBTL1POLB
SCHEMBL23297577 0.78 NUDT5 (0.73) NUDT5DPP4L3MBTL1LMNASTAT6
SCHEMBL23340325 0.78 NUDT5 (0.54) NUDT5HTR2CLMNAPTPN11
SCHEMBL23340460 0.77 POLB (0.39) NUDT5HTR2CDPP4SMN1; SMN2POLB
SCHEMBL23340617 0.77 NUDT5 (0.52) NUDT5LMNASTAT6SMN1; SMN2
SCHEMBL23340491 0.74 HTR2C (0.43) NUDT5HTR2CDPP4L3MBTL1LMNA
SCHEMBL23340639 0.73 NUDT5 (0.47) NUDT5HTR2CLMNASMN1; SMN2POLB
SCHEMBL23340553 0.72 NUDT5 (0.47) NUDT5HTR2CDPP4LMNASMN1; SMN2
SCHEMBL23340497 0.72 NUDT5 (0.47) NUDT5HTR2CDPP4LMNASMN1; 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-20210128566-A1 NOVEL FUNCTIONALIZED PURINE-2,6-DIONES AND THEIR USE IN MEDICINE THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2021-05-06 — — 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-20210128566-A1 NOVEL FUNCTIONALIZED PURINE-2,6-DIONES AND THEIR USE IN MEDICINE ADORA2A, HPRT1, PNP NUDT5 105/4885HTR2C 1202/4885DPP4 2074/4885

“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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