SCHEMBL23340701

SCHEMBL23340701

COc1cc(-c2nnc(Cn3c(N4CCC(N(C)C)CC4)nc4c3C(=O)N(C)COCN4C)o2)ccc1C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NUDT5 Q9UKK9 1/20 0.36
▸ PLK1 P53350 12/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ HRH1 P35367 2/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KDM1A O60341 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HPGD P15428 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
SCHEMBL23340702 0.96 CHRM1 (0.37) NUDT5PLK1HRH1KCNH2TSHR
SCHEMBL23340703 0.90 NUDT5 (0.38) NUDT5PLK1TSHRMAPK1MAPT
SCHEMBL23340638 0.90 NUDT5 (0.36) NUDT5PLK1TSHRMAPK1MAPT
SCHEMBL23340556 0.89 NUDT5 (0.47) NUDT5PLK1TSHRMAPK1MAPT
SCHEMBL23340555 0.89 HPGD (0.44) NUDT5TSHRMAPK1MAPTSMN1; SMN2
SCHEMBL23340498 0.83 NUDT5 (0.48) NUDT5PLK1TSHRMAPK1MAPT
SCHEMBL23340643 0.83 NUDT5 (0.37) NUDT5PLK1TSHRMAPK1MAPT
SCHEMBL23340337 0.81 PLK1 (0.39) PLK1TSHRMAPK1MAPTSMN1; SMN2
SCHEMBL23297653 0.81 NUDT5 (0.57) NUDT5TSHRMAPK1MAPTSMN1; SMN2
SCHEMBL23340325 0.79 NUDT5 (0.54) NUDT5PLK1TSHRMAPK1KDM1A

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 2110/4885CYP2D6 64/4885

“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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