SCHEMBL2238226

SCHEMBL2238226

CCNc1ccnc2c1c(C(C)=O)cn2COCC[Si](C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 7/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KLKB1 P03952 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ADK P55263 1/20 0.30
▸ HSP90AA1 P07900 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
SCHEMBL2235580 0.89 KDM6B (0.34) DGAT1MAPT
SCHEMBL2239596 0.86 DGAT1 (0.31) DGAT1MAPTNPC1
SCHEMBL2239601 0.86 DGAT1 (0.31) DGAT1MAPTNPC1
SCHEMBL13521488 0.85 DGAT1 (0.33) DGAT1MAPT
SCHEMBL2243519 0.83 DGAT1 (0.33) DGAT1MAPT
SCHEMBL2240537 0.83 DGAT1 (0.38) DGAT1MAPTKLKB1NPC1ADK
SCHEMBL13521489 0.79 — —
SCHEMBL2242588 0.77 CDK5 (0.41) DGAT1MAPT
SCHEMBL2240853 0.77 TTK (0.33) DGAT1MAPT
SCHEMBL2240846 0.77 TTK (0.33) DGAT1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 — — US disclosed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 — — US disclosed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 — — 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-20110201599-A1 CDK Modulators CDK3, CDK1, CDKL1 DGAT1 3881/4885MAPT 2120/4885KLKB1 2234/4885

“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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