SCHEMBL23340556

SCHEMBL23340556

COc1cc(-c2nnc(Cn3c(N4CCNCC4)nc4c3C(=O)N(C)COCN4C)o2)ccc1C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NUDT5 Q9UKK9 1/20 0.47
▸ PLK1 P53350 7/20 0.40
▸ TLR8 Q9NR97 3/20 0.36
▸ TLR7 Q9NYK1 3/20 0.36
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTR2C P28335 4/20 0.35
▸ TSHR P16473 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ TLR9 Q9NR96 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TGFBR1 P36897 1/20 0.34
▸ ACVR1 Q04771 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
SCHEMBL23340498 0.94 NUDT5 (0.48) NUDT5PLK1TLR8TLR7LMNA
SCHEMBL23340703 0.90 NUDT5 (0.38) NUDT5PLK1LMNAHPGDTSHR
SCHEMBL23340325 0.90 NUDT5 (0.54) NUDT5PLK1TLR8TLR7LMNA
SCHEMBL23340638 0.89 NUDT5 (0.36) NUDT5PLK1TLR8TLR7LMNA
SCHEMBL23340701 0.89 NUDT5 (0.36) NUDT5PLK1LMNAHPGDTSHR
SCHEMBL23340643 0.89 NUDT5 (0.37) NUDT5PLK1TLR8TLR7LMNA
SCHEMBL23340461 0.88 NUDT5 (0.46) NUDT5PLK1LMNAHTR2CTSHR
SCHEMBL23340704 0.88 NUDT5 (0.56) NUDT5PLK1TLR8TLR7HTR2C
SCHEMBL23340555 0.88 HPGD (0.44) NUDT5TLR8TLR7LMNAHPGD
SCHEMBL23340636 0.87 NUDT5 (0.46) NUDT5HTR2CTSHRMAPK1MAPT

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 105/4885PLK1 2110/4885TLR8 1107/4885

“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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