SCHEMBL6892867

SCHEMBL6892867

O=S1(=O)CCC(c2nc3c(-c4cnc5ccc(F)cc5c4)cnn3c3[nH]cc(Cl)c23)CC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.33
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
KCNH2 Q12809 1/20 0.31
MTOR P42345 1/20 0.30
RPTOR Q8N122 1/20 0.30
MLST8 Q9BVC4 1/20 0.30
PLAT P00750 1/20 0.30

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
SCHEMBL6893527 0.91 HSP90AA1 (0.31) MTORRPTORMLST8PLAT
SCHEMBL6892132 0.85 MTOR (0.42) MTORRPTORMLST8PLAT
SCHEMBL10328276 0.83 KDM4E (0.34) MTORRPTORMLST8PLAT
SCHEMBL6890478 0.83 MTOR (0.42) MTORRPTORMLST8PLAT
SCHEMBL6893613 0.80 MTOR (0.46) MTORRPTORMLST8PLAT
SCHEMBL10238765 0.79 CHEK1 (0.41)
SCHEMBL7885654 0.79 CHEK1 (0.46)
SCHEMBL10238707 0.78 GAA (0.36)
SCHEMBL10238789 0.78 GAA (0.36)
SCHEMBL7883241 0.77 CHEK1 (0.44)

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 4 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-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
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 ABL1 243/4885CNR1 1746/4885CNR2 2703/4885

“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.