SCHEMBL39794

SCHEMBL39794

O=C1CCNc2c1c(N1CCS(=O)(=O)CC1)nc1c(-c3ccc(-c4ccccc4)nc3)cnn21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 3/20 0.37
MTOR P42345 2/20 0.35
RPTOR Q8N122 2/20 0.35
MLST8 Q9BVC4 2/20 0.35
GRIA1 P42261 1/20 0.33
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
CHEK1 O14757 2/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
PDE10A Q9Y233 1/20 0.32
KDR P35968 1/20 0.32
TGFBR1 P36897 1/20 0.32
ACVR1 Q04771 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32
ALOX5AP P20292 2/20 0.31
FEN1 P39748 1/20 0.31
MAPT P10636 4/20 0.31
KDM4E B2RXH2 3/20 0.31

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
SCHEMBL15026251 0.90 NPC1 (0.40) MTORRPTORMLST8NPC1RAB9A
SCHEMBL41447 0.84 MTOR (0.43) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL30450 0.83 ALDH1A1 (0.37) MTORRPTORMLST8NPC1RAB9A
SCHEMBL10234775 0.82 NPC1 (0.45) MTORRPTORMLST8NPC1RAB9A
SCHEMBL39174 0.81 GRIA1 (0.33) GRIA1
SCHEMBL15007449 0.79 MTOR (0.42) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL17787550 0.78
SCHEMBL45785 0.77 NPC1 (0.41) MTORRPTORMLST8NPC1RAB9A
SCHEMBL30716 0.77 MTOR (0.43) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL15026255 0.77 MTOR (0.43) MTORRPTORMLST8NPC1RAB9A

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-2608668-B1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN MERCK SHARP & DOHME (US) 2016-06-01 EP disclosed
US-8703784-B2 Substituted pyrazolo[1,5-a]pyrido[3.2-e]pyrimidin-6-one inhibitors of mammalian target of rapamycin MERCK SHARP & DOHME CORP. (US) 2014-04-22 US disclosed
US-20130150353-A1 Fused Tricyclic Inhibitors of Mammalian Target of Rapamycin MERCK SHARP & DOHME LLC 2013-06-13 US disclosed
WO-2012027234-A1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN SCHERING CORPORATION (US) 2012-03-01 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-20130150353-A1 Fused Tricyclic Inhibitors of Mammalian Target of Rapamycin MTOR, RICTOR, RPTOR WNT3A 4194/4885MTOR 1/4885RPTOR 3/4885

“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.