SCHEMBL23340460

SCHEMBL23340460

Cc1ccc(-c2cc(Cn3c(N4CCNCC4)nc4c3C(=O)N(C)COCN4C)no2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ SIRT5 Q9NXA8 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ SOS1 Q07889 1/20 0.38
▸ HTR2C P28335 5/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ DPP4 P27487 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ EPHX2 P34913 2/20 0.35
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ FAP Q12884 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NUDT5 Q9UKK9 1/20 0.33

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
SCHEMBL23340697 0.82 MEN1 (0.40) POLBSMN1; SMN2HTTALDH1A1EPHX2
SCHEMBL23340478 0.77 NUDT5 (0.46) POLBSIRT5SOS1HTR2CSMN1; SMN2
SCHEMBL23297593 0.77 DPP4 (0.60) POLBSIRT5DPP4ALDH1A1FAP
SCHEMBL23340704 0.76 NUDT5 (0.56) POLBSIRT5SOS1HTR2CDPP4
SCHEMBL23340497 0.75 NUDT5 (0.47) HTR2CSMN1; SMN2HTTDPP4NPC1
SCHEMBL23340639 0.74 NUDT5 (0.47) POLBHTR3ASOS1HTR2CSMN1; SMN2
SCHEMBL23340491 0.74 HTR2C (0.43) POLBSIRT5SOS1HTR2CDPP4
SCHEMBL23340553 0.74 NUDT5 (0.47) POLBHTR3AHTR2CSMN1; SMN2HTT
SCHEMBL23340461 0.73 NUDT5 (0.46) HTR3AHTR2CALDH1A1TP53TSHR
SCHEMBL23340469 0.72 NUDT5 (0.46) HTR2CNUDT5

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 POLB 573/4885SIRT5 2024/4885HTR3A 1707/4885

“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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