SCHEMBL6889657

SCHEMBL6889657

C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1c(Br)c(C2CCS(=O)(=O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.39
MTOR P42345 3/20 0.38
RPTOR Q8N122 3/20 0.38
MLST8 Q9BVC4 3/20 0.38
CHEK1 O14757 5/20 0.33
CCNA2 P20248 5/20 0.33
CDK2 P24941 5/20 0.33
CCNA1 P78396 5/20 0.33
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
SCHEMBL10238685 0.95 DGAT1 (0.35) DGAT1MTORRPTORMLST8CHEK1
SCHEMBL10280275 0.92 DGAT1 (0.40) DGAT1MTORRPTORMLST8MAPT
SCHEMBL2693153 0.91 DGAT1 (0.39) DGAT1MTORRPTORMLST8CHEK1
SCHEMBL10238763 0.91 DGAT1 (0.41) DGAT1MTORRPTORMLST8
SCHEMBL10237872 0.91 DGAT1 (0.39) DGAT1MTORRPTORMLST8CHEK1
SCHEMBL10238773 0.91 DGAT1 (0.38) DGAT1MTORRPTORMLST8CHEK1
SCHEMBL15007389 0.91 DGAT1 (0.39) DGAT1MTORRPTORMLST8CHEK1
SCHEMBL2693877 0.90 DGAT1 (0.39) DGAT1MTORRPTORMLST8CHEK1
SCHEMBL7880603 0.90 DGAT1 (0.39) DGAT1MTORRPTORMLST8
SCHEMBL2705740 0.90 DGAT1 (0.41) DGAT1MTORRPTORMLST8CHEK1

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-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-07-12 US disclosed
US-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-07-12 US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
WO-2012027240-A1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN SCHERING CORPORATION (US) 2012-03-01 WO disclosed
WO-2011002887-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS SCHERING CORPORATION (US) 2011-01-06 WO 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-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MTOR, RICTOR, RPTOR DGAT1 3898/4885MTOR 1/4885RPTOR 3/4885
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR DGAT1 3031/4885MTOR 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.