SCHEMBL23340548

SCHEMBL23340548

CN1COCN(C)c2nc(Cl)n(Cc3nnc(-c4ccc(C#N)cc4)o3)c2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.40
▸ PKM P14618 2/20 0.36
▸ NUDT5 Q9UKK9 1/20 0.36
▸ PTGS2 P35354 1/20 0.35
▸ MAPT P10636 4/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ BACE2 Q9Y5Z0 1/20 0.34
▸ LMNA P02545 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ NLRP3 Q96P20 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ TNKS O95271 1/20 0.33
▸ TNKS2 Q9H2K2 1/20 0.33
▸ TSHR P16473 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
SCHEMBL23340547 0.91 RAB9A (0.50) RAB9APKMNUDT5PTGS2MAPT
SCHEMBL23340490 0.89 TSHR (0.43) RAB9APKMNUDT5PTGS2MAPT
SCHEMBL23340492 0.89 ALDH1A1 (0.43) RAB9APKMPTGS2MAPTKMT2A
SCHEMBL23340635 0.87 PTK2 (0.43) RAB9APKMMAPTALDH1A1HTT
SCHEMBL23340632 0.86 SMN1; SMN2 (0.41) RAB9APKMNUDT5PTGS2MAPT
SCHEMBL23340549 0.85 RAB9A (0.38) RAB9APKMNUDT5PTGS2MAPT
SCHEMBL23340324 0.85 RAB9A (0.41) RAB9APKMNUDT5PTGS2MAPT
SCHEMBL23340497 0.84 NUDT5 (0.47) RAB9APKMNUDT5MAPTNPC1
SCHEMBL23340633 0.83 MAPK1 (0.44) RAB9AMAPTNPC1KMT2AALDH1A1
SCHEMBL23340699 0.83 NLRP3 (0.41) RAB9APKMPTGS2NPC1KMT2A

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 RAB9A 2609/4885PKM 1278/4885NUDT5 105/4885

“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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