SCHEMBL9884961

SCHEMBL9884961

CC[C@@H](Nc1nc(N)ncc1C)C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 7/20 0.55
▸ KDM4E B2RXH2 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ GRM4 Q14833 1/20 0.31
▸ IRAK4 Q9NWZ3 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.30

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
SCHEMBL9885018 1.00 NUDT1 (0.55) NUDT1KDM4EL3MBTL1PIK3CDPIK3CB
SCHEMBL179450 0.84 BCL6 (0.43) NUDT1KDM4EL3MBTL1PIK3CDPIK3CB
SCHEMBL179422 0.84 BCL6 (0.43) NUDT1KDM4EL3MBTL1TLR8
SCHEMBL179465 0.84 BCL6 (0.43) NUDT1KDM4EL3MBTL1PIK3CDPIK3CB
SCHEMBL179496 0.84 BCL6 (0.43) NUDT1KDM4EL3MBTL1PIK3CDPIK3CB
SCHEMBL179460 0.84 BCL6 (0.43) NUDT1KDM4EL3MBTL1TLR8
SCHEMBL179474 0.84 BCL6 (0.43) NUDT1KDM4EL3MBTL1TLR8
SCHEMBL179498 0.81 NUDT1 (0.41) NUDT1KDM4EL3MBTL1
SCHEMBL179470 0.81 NUDT1 (0.41) NUDT1KDM4EL3MBTL1
SCHEMBL16015108 0.81 NUDT1 (0.41) NUDT1KDM4EL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193182-B2 Substituted isoquinolin-1(2H)-ones, and methods of use thereof INTELLIKINE, INC. (US) 2012-06-05 — — US disclosed
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE 2009-12-17 — — 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-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB NUDT1 791/4885KDM4E 4349/4885L3MBTL1 4132/4885

“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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