SCHEMBL23340335

SCHEMBL23340335

CN1COCN(C)c2nc(N3CCNCC3)n(Cc3nnc(-c4ccc(C(F)(F)F)cc4)o3)c2C1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NUDT5 Q9UKK9 1/20 0.46
▸ SOS1 Q07889 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ BCHE P06276 3/20 0.36
▸ ACHE P22303 3/20 0.36
▸ BACE1 P56817 3/20 0.36
▸ TP53 P04637 1/20 0.35
▸ PLAT P00750 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ SUCNR1 Q9BXA5 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CTSS P25774 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ NOTUM Q6P988 1/20 0.32
▸ HTR2C P28335 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
SCHEMBL23340639 0.91 NUDT5 (0.47) NUDT5SOS1SMN1; SMN2LMNATSHR
SCHEMBL23340553 0.89 NUDT5 (0.47) NUDT5SMN1; SMN2LMNATSHRHTT
SCHEMBL23340497 0.89 NUDT5 (0.47) NUDT5SMN1; SMN2LMNATSHRHTT
SCHEMBL23340461 0.88 NUDT5 (0.46) NUDT5LMNATSHRALDH1A1TP53
SCHEMBL23340509 0.86 NUDT5 (0.45) NUDT5SMN1; SMN2LMNATSHRHTT
SCHEMBL23340469 0.85 NUDT5 (0.46) NUDT5MAPTHTR2C
SCHEMBL23340637 0.85 NUDT5 (0.47) NUDT5SMN1; SMN2LMNATSHRHTT
SCHEMBL23340498 0.84 NUDT5 (0.48) NUDT5LMNATSHRALDH1A1MAPT
SCHEMBL23340632 0.84 SMN1; SMN2 (0.41) NUDT5SMN1; SMN2LMNATSHRHTT
SCHEMBL23340624 0.84 NUDT5 (0.44) NUDT5SOS1TSHRRAB9AHTR2C

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 105/4885SOS1 3362/4885SMN1; SMN2 989/4885

“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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