SCHEMBL5668182

SCHEMBL5668182

C[Si](C)(C)CCOCn1c(=O)c(-c2cccc(C(=O)O)c2F)nc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ PPARG P37231 4/20 0.39
▸ CFTR P13569 2/20 0.39
▸ AGTR1 P30556 1/20 0.38
▸ AGTR2 P50052 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ POLB P06746 1/20 0.37

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
SCHEMBL5667295 0.91 CFTR (0.43) NPC1MAPTCFTRPOLB
SCHEMBL6131156 0.86 NPC1 (0.42) NPC1MAPTPPARGCFTRAGTR1
SCHEMBL5667000 0.85 NPC1 (0.41) NPC1MAPTCFTRPOLB
SCHEMBL6131155 0.84 MAPT (0.41) NPC1MAPTPPARGCFTRAGTR1
SCHEMBL5669071 0.84 NPC1 (0.38) NPC1MAPTPPARG
SCHEMBL5669172 0.82 MAPT (0.43) NPC1MAPTCFTRPOLB
SCHEMBL13871097 0.82 NPC1 (0.38) NPC1PPARG
SCHEMBL5669030 0.81 CFTR (0.47) NPC1MAPTCFTRPOLB
SCHEMBL13866073 0.79 NPC1 (0.36) NPC1PPARG
SCHEMBL5669025 0.79 CFTR (0.45) NPC1MAPTCFTRPOLB

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 4328/4885MAPT 4549/4885PPARG 1196/4885
US-20050176719-A1 Novel pyrazinone derivatives CDK6, CDK4, CDK16 NPC1 4126/4885MAPT 3834/4885PPARG 594/4885

“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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