SCHEMBL10277797

SCHEMBL10277797

CC(C)(C)OC(=O)C1CCC(c2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(-c4ccc(-c5ccccc5)nc4)c3n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.40
MTOR P42345 3/20 0.35
RPTOR Q8N122 3/20 0.35
MLST8 Q9BVC4 3/20 0.35
CHEK1 O14757 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
JAK1 P23458 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
ACACB O00763 3/20 0.32
ACACA Q13085 2/20 0.32
TTK P33981 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL10211780 1.00 DGAT1 (0.40) DGAT1MTORRPTORMLST8CHEK1
SCHEMBL2723620 0.91 DGAT1 (0.43) DGAT1MTORRPTORMLST8CHEK1
SCHEMBL10277588 0.91 DGAT1 (0.37) DGAT1
SCHEMBL10277722 0.90 DGAT1 (0.39) DGAT1GPR119
SCHEMBL6890836 0.90 DGAT1 (0.39) DGAT1GPR119
SCHEMBL10237593 0.90 DGAT1 (0.40) DGAT1MTORRPTORMLST8ACACB
SCHEMBL7878601 0.90 DGAT1 (0.40) DGAT1MTORRPTORMLST8ACACB
SCHEMBL30913 0.90 GPR119 (0.42) DGAT1GPR119ALDH1A1HPGDTSHR
SCHEMBL2723694 0.89 DGAT1 (0.41) DGAT1MTORRPTORMLST8CHEK1
SCHEMBL2679713 0.88 DGAT1 (0.36) DGAT1CHEK1CCNA2CDK2CCNA1

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
EP-2448942-B1 FUSED TRICYCLIC COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME (US) 2014-09-24 EP disclosed
US-8609675-B2 Fused Tricyclic Compounds as novel mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2013-12-17 US disclosed
US-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-07-12 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-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MTOR, RICTOR, RPTOR DGAT1 3898/4885MTOR 1/4885RPTOR 3/4885

“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.