SCHEMBL23340491

SCHEMBL23340491

CN1COCN(C)c2nc(N3CCNCC3)n(Cc3cnc(-c4ccc(Cl)cc4)s3)c2C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 4/20 0.43
▸ USP2 O75604 7/20 0.39
▸ ALDH1A1 P00352 7/20 0.39
▸ CYP1A2 P05177 7/20 0.39
▸ CYP3A4 P08684 7/20 0.39
▸ CYP2C9 P11712 7/20 0.39
▸ CASP1 P29466 7/20 0.39
▸ CASP7 P55210 7/20 0.39
▸ HIF1A Q16665 7/20 0.39
▸ LMNA P02545 7/20 0.39
▸ HSD17B10 Q99714 6/20 0.39
▸ TP53 P04637 5/20 0.39
▸ CYP2C19 P33261 4/20 0.39
▸ ALOX15 P16050 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ GLA P06280 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ SOS1 Q07889 1/20 0.38
▸ F10 P00742 1/20 0.38

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
SCHEMBL23340326 0.85 F10 (0.41) USP2ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL23297615 0.78 DPP4 (0.64) USP2ALDH1A1CYP3A4CYP2C9LMNA
SCHEMBL23340469 0.74 NUDT5 (0.46) HTR2CNUDT5MAPT
SCHEMBL23340478 0.74 NUDT5 (0.46) HTR2CLMNASOS1DPP4NUDT5
SCHEMBL23340460 0.74 POLB (0.39) HTR2CALDH1A1TP53SOS1DPP4
SCHEMBL23340704 0.73 NUDT5 (0.56) HTR2CSOS1DPP4NUDT5L3MBTL1
SCHEMBL23340639 0.73 NUDT5 (0.47) HTR2CUSP2ALDH1A1CYP1A2CYP3A4
SCHEMBL23340553 0.72 NUDT5 (0.47) HTR2CALDH1A1LMNAMEN1KMT2A
SCHEMBL23340497 0.72 NUDT5 (0.47) HTR2CLMNAKMT2ADPP4NUDT5
SCHEMBL23340461 0.72 NUDT5 (0.46) HTR2CUSP2ALDH1A1CYP1A2CYP3A4

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 HTR2C 1202/4885USP2 4150/4885ALDH1A1 333/4885

“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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