SCHEMBL2680179

SCHEMBL2680179

CC(C)(C)OC(=O)N1CCC(Cc2cc(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 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.40
DGAT1 O75907 1/20 0.37
HPGDS O60760 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
USP30 Q70CQ3 1/20 0.35

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
SCHEMBL30913 0.90 GPR119 (0.42) GPR119DGAT1HPGDSKDM4EMAPT
SCHEMBL1023167 0.89 DGAT1 (0.37) DGAT1KDM4ELMNATP53MAPT
SCHEMBL10277509 0.88 GPR119 (0.40) GPR119DGAT1HPGDSKDM4EPKM
SCHEMBL584042 0.88 GPR119 (0.38) GPR119DGAT1HPGDSCKS1BSKP1
SCHEMBL2680582 0.87 CKS1B (0.44) GPR119CKS1BSKP1SKP2
SCHEMBL10238830 0.87 DGAT1 (0.39) DGAT1KDM4ELMNATP53MAPT
SCHEMBL1074751 0.84 DGAT1 (0.41) DGAT1KDM4ELMNATP53MAPT
SCHEMBL12460329 0.84 DGAT1 (0.35) GPR119DGAT1
SCHEMBL583653 0.83 GPR119 (0.35) GPR119KDM4EPKMLMNATP53
SCHEMBL12460330 0.83 MTOR (0.42) GPR119DGAT1HPGDS

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

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 GPR119 1795/4885DGAT1 3898/4885HPGDS 3633/4885
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR GPR119 807/4885DGAT1 3031/4885HPGDS 1530/4885

“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.