SCHEMBL5668925

SCHEMBL5668925

C[Si](C)(C)CCOCn1c(=O)c(-c2cccc3c(=O)n(CC(F)(F)F)sc23)nc2c(O)cccc21

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.39
▸ MAP4K1 Q92918 1/20 0.30
▸ MAPT P10636 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
SCHEMBL13865913 0.88 NPC1 (0.39) NPC1MAPT
SCHEMBL13865870 0.86 NPC1 (0.38) NPC1
SCHEMBL5668928 0.85 — —
SCHEMBL13865878 0.78 NPC1 (0.38) NPC1MAPT
SCHEMBL14193138 0.77 NPC1 (0.36) NPC1
SCHEMBL5669493 0.77 NPC1 (0.39) NPC1MAPT
SCHEMBL13870888 0.76 NPC1 (0.35) NPC1
SCHEMBL14193774 0.76 NPC1 (0.35) NPC1
SCHEMBL13866135 0.74 NPC1 (0.39) NPC1MAP4K1MAPT
SCHEMBL13865908 0.74 NPC1 (0.34) NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7148224-B2 An enzyme inhibitors of cyclin-dependent kinases, antitumor agents; chemical intermediate synthesis BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-12-12 — — US disclosed
US-20050176719-A1 Novel pyrazinone derivatives MSD K.K. (JP) 2005-08-11 — — US disclosed
US-6914062-B2 Pyrazinone derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-07-05 — — US disclosed
EP-1295878-B1 PYRAZINONE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-09-15 — — EP disclosed
US-20030203907-A1 An enzyme inhibitors of cyclin-dependent kinases, antitumor agents; chemical intermediate synthesis MSD K.K. (JP) 2003-10-30 — — US disclosed
EP-1295878-A1 NOVEL PYRAZINONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-03-26 — — EP 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 (2 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-20030203907-A1 An enzyme inhibitors of cyclin-dependent kinases, antitumor agents; chemical intermediate synthesis CDK4, CDK6, CCNI NPC1 4328/4885MAP4K1 219/4885MAPT 4549/4885
US-20050176719-A1 Novel pyrazinone derivatives CDK6, CDK4, CDK16 NPC1 4126/4885MAP4K1 303/4885MAPT 3834/4885

“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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