SCHEMBL30002

SCHEMBL30002

CC(NC1CCOCC1)c1nc2c(-c3cnc4ccc(F)cc4c3)cnn2c2c1C(=O)CCN2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK3 Q9Y572 3/20 0.35
MAPK1 P28482 6/20 0.35
MAPK14 Q16539 3/20 0.33
MAPK8 P45983 3/20 0.33
MAPK9 P45984 3/20 0.33
MAPK10 P53779 3/20 0.33
MET P08581 2/20 0.33
NTRK1 P04629 1/20 0.33
AOC3 Q16853 2/20 0.32
GAK O14976 1/20 0.32
RPS6KA4 O75676 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
CSNK1D P48730 1/20 0.32
RPS6KA3 P51812 1/20 0.32
DDR1 Q08345 1/20 0.32
MAPK11 Q15759 1/20 0.32
TAOK1 Q7L7X3 1/20 0.32
COQ8A Q8NI60 1/20 0.32
PRKD2 Q9BZL6 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
SCHEMBL15026253 0.93 RIPK3 (0.35) RIPK3MAPK1MAPK8MAPK9MAPK10
SCHEMBL15026317 0.81 CNR2 (0.33) RIPK3
SCHEMBL30298 0.80 BDKRB1 (0.33)
SCHEMBL595888 0.80 NTRK1 (0.36) MAPK14METNTRK1AOC3PDE3B
SCHEMBL30250 0.77 MEN1 (0.40) MAPK1MAPK14MAPK8MAPK9MAPK10
SCHEMBL10239331 0.76 MET (0.37) MAPK14METNTRK1PDE3BPDE3A
SCHEMBL15026288 0.74 PARP10 (0.35) RIPK3MAPK1METNTRK1
SCHEMBL15026252 0.73 PARP10 (0.31)
SCHEMBL39174 0.72 GRIA1 (0.33) RIPK3NTRK1
SCHEMBL15026310 0.72 TTK (0.39) MAPK1NTRK1

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 11 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
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-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-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
EP-2608668-A1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN Merck Sharp & Dohme Corp. (US) 2013-07-03 EP disclosed
US-20130150353-A1 Fused Tricyclic Inhibitors of Mammalian Target of Rapamycin MERCK SHARP & DOHME LLC 2013-06-13 US disclosed
US-20130150353-A1 Fused Tricyclic Inhibitors of Mammalian Target of Rapamycin MERCK SHARP & DOHME LLC 2013-06-13 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
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 RIPK3 331/4885MAPK1 1777/4885MAPK14 1326/4885

“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.