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SCHEMBL584042

SCHEMBL584042

CC(C)(C)OC(=O)N1CCC(Oc2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(-c4ccc(-c5ccccc5)nc4)c3n2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 12/20 0.38
▸ CACNB4 O00305 2/20 0.38
▸ CACNA1A O00555 2/20 0.38
▸ CACNA1G O43497 2/20 0.38
▸ CACNG3 O60359 2/20 0.38
▸ CACNA1F O60840 2/20 0.38
▸ CACNA1H O95180 2/20 0.38
▸ CACNB3 P54284 2/20 0.38
▸ CACNA2D1 P54289 2/20 0.38
▸ CACNG7 P62955 2/20 0.38
▸ CACNA1B Q00975 2/20 0.38
▸ CACNA1D Q01668 2/20 0.38
▸ CACNB1 Q02641 2/20 0.38
▸ CACNG1 Q06432 2/20 0.38
▸ CACNB2 Q08289 2/20 0.38
▸ CACNA1S Q13698 2/20 0.38
▸ CACNA1C Q13936 2/20 0.38
▸ CACNA1E Q15878 2/20 0.38
▸ CACNA2D4 Q7Z3S7 2/20 0.38
▸ CACNA2D3 Q8IZS8 2/20 0.38

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) GPR119HPGDSDGAT1
SCHEMBL2680179 0.88 GPR119 (0.40) GPR119HPGDSDGAT1CKS1BSKP1
SCHEMBL2680582 0.87 CKS1B (0.44) GPR119CKS1BSKP1SKP2
SCHEMBL10238800 0.87 DGAT1 (0.37) DGAT1
SCHEMBL583816 0.86 PIK3CD (0.38) GPR119HPGDSPIK3CDDGAT1CKS1B
SCHEMBL12461327 0.83 MTOR (0.42) GPR119HPGDSDGAT1
SCHEMBL2146976 0.83 MTOR (0.42) GPR119HPGDSDGAT1
SCHEMBL12460330 0.83 MTOR (0.42) GPR119HPGDSDGAT1
SCHEMBL17399345 0.83 MTOR (0.42) GPR119HPGDSDGAT1
SCHEMBL30182 0.83 MTOR (0.42) GPR119HPGDSDGAT1

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 7 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
EP-2417138-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS Schering Corporation (US) 2012-02-15 — — EP disclosed
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 — — 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 GPR119 1795/4885CACNB4 4338/4885CACNA1A 1672/4885
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR GPR119 807/4885CACNB4 4292/4885CACNA1A 3172/4885

“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.