SCHEMBL23340704

SCHEMBL23340704

Cc1cc(-c2nnc(Cn3c(N4CCNCC4)nc4c3C(=O)N(C)COCN4C)o2)ccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NUDT5 Q9UKK9 1/20 0.56
▸ HTR2C P28335 5/20 0.37
▸ MAPT P10636 1/20 0.35
▸ SOS1 Q07889 7/20 0.34
▸ DPP4 P27487 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ PLK1 P53350 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ SIRT5 Q9NXA8 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.32
▸ TLR7 Q9NYK1 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
SCHEMBL23340325 0.89 NUDT5 (0.54) NUDT5HTR2CPLK1TLR9TLR8
SCHEMBL23340556 0.88 NUDT5 (0.47) NUDT5HTR2CMAPTPLK1TLR9
SCHEMBL23340639 0.86 NUDT5 (0.47) NUDT5HTR2CMAPTSOS1RAB9A
SCHEMBL23340553 0.86 NUDT5 (0.47) NUDT5HTR2CMAPTDPP4RAB9A
SCHEMBL23340498 0.86 NUDT5 (0.48) NUDT5MAPTPLK1POLBTLR9
SCHEMBL23340497 0.85 NUDT5 (0.47) NUDT5HTR2CMAPTDPP4RAB9A
SCHEMBL23340637 0.85 NUDT5 (0.47) NUDT5HTR2CMAPTRAB9A
SCHEMBL23340461 0.85 NUDT5 (0.46) NUDT5HTR2CMAPTPLK1
SCHEMBL23340617 0.85 NUDT5 (0.52) NUDT5RAB9ATLR8TLR7
SCHEMBL23340335 0.84 NUDT5 (0.46) NUDT5HTR2CMAPTSOS1RAB9A

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 1202/4885MAPT 4604/4885

“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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