Sugi Predict

Sugi Predict / Compounds / SCHEMBL1073807

SCHEMBL1073807

SCHEMBL1073807

CCOC(=O)C1(C)CCC(Cc2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c3[nH]nc(C)c23)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 2/20 0.41
▸ RPTOR Q8N122 2/20 0.41
▸ MLST8 Q9BVC4 2/20 0.41
▸ KDM4E B2RXH2 5/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ GPR119 Q8TDV5 10/20 0.36
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ NFKB1 P19838 2/20 0.35
▸ NFKB2 Q00653 2/20 0.35
▸ RELA Q04206 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ HPGD P15428 4/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ TP53 P04637 1/20 0.34
▸ STAT1 P42224 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ MAPK1 P28482 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
SCHEMBL1076518 0.92 MTOR (0.43) MTORRPTORMLST8KDM4EL3MBTL1
SCHEMBL6891270 0.86 MTOR (0.38) MTORRPTORMLST8
SCHEMBL1074802 0.85 MTOR (0.44) MTORRPTORMLST8KDM4EL3MBTL1
SCHEMBL6891576 0.85 CHEK1 (0.39) MTORRPTORMLST8
SCHEMBL6891563 0.83 MTOR (0.42) MTORRPTORMLST8KDM4EL3MBTL1
SCHEMBL10328265 0.83 MTOR (0.35) MTORRPTORMLST8
SCHEMBL1074827 0.78 CHEK1 (0.40) MTORRPTORMLST8
SCHEMBL6891857 0.76 MTOR (0.36) MTORRPTORMLST8
SCHEMBL21008 0.75 NPC1 (0.43) MTORRPTORMLST8KDM4EL3MBTL1
SCHEMBL15031412 0.75 NPC1 (0.43) MTORRPTORMLST8KDM4EL3MBTL1

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-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-07-12 — — US disclosed
US-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-07-12 — — US disclosed
US-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-07-12 — — US disclosed
EP-2448942-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS Schering Corporation (US) 2012-05-09 — — EP 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-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MTOR, RICTOR, RPTOR MTOR 1/4885RPTOR 3/4885MLST8 14/4885

“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.