SCHEMBL39174

SCHEMBL39174

O=C1CCNc2c1c(N1CCS(=O)(=O)CC1)nc1c(-c3cnc4ccc(F)cc4c3)cnn21

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.33
NTRK1 P04629 1/20 0.33
PARP10 Q53GL7 1/20 0.32
PARP11 Q9NR21 1/20 0.32
RIPK3 Q9Y572 1/20 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
SCHEMBL15026288 0.91 PARP10 (0.35) NTRK1PARP10PARP11RIPK3
SCHEMBL17787550 0.82
SCHEMBL15026250 0.82 PARP10 (0.38) NTRK1PARP10PARP11
SCHEMBL39794 0.81 WNT3A (0.37) GRIA1
SCHEMBL29980 0.79 ATR (0.43) PARP10PARP11RIPK3
SCHEMBL10238626 0.78 RAB9A (0.38) GRIA1
SCHEMBL7882617 0.78 KMT2A (0.36) GRIA1
SCHEMBL10238648 0.75 RAB9A (0.36)
SCHEMBL7883694 0.75 MEN1 (0.43)
SCHEMBL41512 0.74 PARP10 (0.42) PARP10PARP11RIPK3

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 GRIA1 3114/4885NTRK1 1935/4885PARP10 216/4885

“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.