SCHEMBL2680276

SCHEMBL2680276

C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(C2CCNCC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 9/20 0.41
CCNA2 P20248 4/20 0.41
CDK2 P24941 4/20 0.41
CCNA1 P78396 4/20 0.41
DGAT1 O75907 2/20 0.39
RET P07949 1/20 0.38
KIF5B P33176 1/20 0.38
KDR P35968 1/20 0.38
ETV6 P41212 1/20 0.38
CCDC6 Q16204 1/20 0.38
MTOR P42345 2/20 0.36
RPTOR Q8N122 2/20 0.36
MLST8 Q9BVC4 2/20 0.36
PLAT P00750 5/20 0.35
BMPR1B O00238 1/20 0.34
BMPR1A P36894 1/20 0.34
ACVR1B P36896 1/20 0.34
ACVRL1 P37023 1/20 0.34
ACVR1 Q04771 1/20 0.34

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
SCHEMBL15026290 0.92 CHEK1 (0.40) CHEK1CCNA2CDK2CCNA1DGAT1
SCHEMBL7883028 0.91 DGAT1 (0.41) CHEK1CCNA2CDK2CCNA1DGAT1
SCHEMBL15007294 0.90 DGAT1 (0.39) CHEK1CCNA2CDK2CCNA1DGAT1
SCHEMBL15007528 0.90 DGAT1 (0.39) CHEK1CCNA2CDK2CCNA1DGAT1
SCHEMBL20162 0.90 DGAT1 (0.42) CHEK1CCNA2CDK2CCNA1DGAT1
SCHEMBL21356 0.90 DGAT1 (0.40) CHEK1CCNA2CDK2CCNA1DGAT1
SCHEMBL14298310 0.90 DGAT1 (0.40) CHEK1CCNA2CDK2CCNA1DGAT1
SCHEMBL14298078 0.90 DGAT1 (0.40) CHEK1CCNA2CDK2CCNA1DGAT1
SCHEMBL10327979 0.89 DGAT1 (0.40) CHEK1CCNA2CDK2CCNA1DGAT1
SCHEMBL2723620 0.89 DGAT1 (0.43) CHEK1CCNA2CDK2CCNA1DGAT1

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-8591943-B2 Pyrazolo[1,5-a]pyrimidine derivatives as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-26 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

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-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.