SCHEMBL6889797

SCHEMBL6889797

C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(C2CCCCC2)nc2c(-c3ccc(Cl)nc3)cnn12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 12/20 0.34
PIK3CA P42336 2/20 0.34
PSD A5PKW4 2/20 0.33
CCNA2 P20248 3/20 0.33
CDK2 P24941 3/20 0.33
CCNA1 P78396 3/20 0.33
GPR119 Q8TDV5 1/20 0.32
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
RAB9A P51151 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
CTNNB1 P35222 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL14298087 0.92 GPR119 (0.32) PIK3CAGPR119KDM4ENPC1ALDH1A1
SCHEMBL14298084 0.92 GPR119 (0.32) PIK3CAGPR119KDM4ENPC1ALDH1A1
SCHEMBL10277523 0.90 DGAT1 (0.37) PIK3CAGPR119KDM4EALDH1A1MAPT
SCHEMBL10239389 0.89 DGAT1 (0.40) PIK3CAGPR119KDM4ENPC1ALDH1A1
SCHEMBL2680193 0.89 DGAT1 (0.40) PIK3CAGPR119KDM4ENPC1ALDH1A1
SCHEMBL15026290 0.89 CHEK1 (0.40) CHEK1CCNA2CDK2CCNA1KDM4E
SCHEMBL2147143 0.87 MTOR (0.35) PIK3CAGPR119MAPTDGAT1
SCHEMBL10277722 0.86 DGAT1 (0.39) PIK3CAGPR119DGAT1
SCHEMBL2680324 0.86 HSD17B10 (0.35) PIK3CAGPR119KDM4EALDH1A1MAPT
SCHEMBL6890836 0.86 DGAT1 (0.39) PIK3CAGPR119DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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 461/4885PIK3CA 34/4885PSD 1475/4885

“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.