SCHEMBL23340643

SCHEMBL23340643

COc1cc(-c2nnc(Cn3c(N4CCNC(C(F)(F)F)C4)nc4c3C(=O)N(C)COCN4C)o2)ccc1C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NUDT5 Q9UKK9 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PLK1 P53350 11/20 0.34
▸ TLR8 Q9NR97 3/20 0.32
▸ TLR7 Q9NYK1 3/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TLR9 Q9NR96 1/20 0.32

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
SCHEMBL23340556 0.89 NUDT5 (0.47) NUDT5PLK1TLR8TLR7LMNA
SCHEMBL23340470 0.88 NUDT5 (0.50) NUDT5SMN1; SMN2LMNATSHR
SCHEMBL23340702 0.84 CHRM1 (0.37) NUDT5SMN1; SMN2PLK1TLR8TLR7
SCHEMBL23297684 0.83 NUDT5 (0.57) NUDT5LMNAHPGDTSHRMAPK1
SCHEMBL23340498 0.83 NUDT5 (0.48) NUDT5PLK1TLR8TLR7LMNA
SCHEMBL23340701 0.83 NUDT5 (0.36) NUDT5SMN1; SMN2PLK1LMNAHPGD
SCHEMBL23340638 0.83 NUDT5 (0.36) NUDT5SMN1; SMN2PLK1TLR8TLR7
SCHEMBL23340703 0.83 NUDT5 (0.38) NUDT5PLK1LMNAHPGDTSHR
SCHEMBL23340555 0.81 HPGD (0.44) NUDT5SMN1; SMN2TLR8TLR7LMNA
SCHEMBL23340325 0.80 NUDT5 (0.54) NUDT5PLK1TLR8TLR7LMNA

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 105/4885SMN1; SMN2 989/4885PLK1 2110/4885

“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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