SCHEMBL6889950

SCHEMBL6889950

C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1c(Br)c(C2CCS(=O)(=O)CC2)nc2c(-c3cnc4ccccc4c3)cnn12

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.32
CCNA2 P20248 4/20 0.32
CDK2 P24941 4/20 0.32
CCNA1 P78396 4/20 0.32
PIK3CA P42336 3/20 0.32
AKT1 P31749 2/20 0.31
MTOR P42345 2/20 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
SCHEMBL2725892 0.90 PIK3CA (0.34) PIK3CAAKT1MTOR
SCHEMBL10238716 0.89 PIK3CA (0.31) PIK3CAAKT1MTOR
SCHEMBL10327978 0.89 PIK3CA (0.32) PIK3CAAKT1MTOR
SCHEMBL7874285 0.88 CHEK1 (0.34) CHEK1CCNA2CDK2CCNA1PIK3CA
SCHEMBL594420 0.87 PIK3CA (0.33) CHEK1CCNA2CDK2CCNA1PIK3CA
SCHEMBL2680181 0.87 DGAT1 (0.36) CHEK1CCNA2CDK2CCNA1PIK3CA
SCHEMBL7886269 0.87 PIK3CA (0.33) CHEK1CCNA2CDK2CCNA1PIK3CA
SCHEMBL6889657 0.87 DGAT1 (0.39) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL590602 0.87 HDAC1 (0.33)
SCHEMBL2680019 0.86 CHEK1 (0.31) CHEK1CCNA2CDK2CCNA1MTOR

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-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
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 CHEK1 185/4885CCNA2 203/4885CDK2 31/4885
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR CHEK1 461/4885CCNA2 2476/4885CDK2 165/4885

“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.