SCHEMBL30715

SCHEMBL30715

CC(NC1CCOCC1)c1cc(NCCC(=O)OC(C)(C)C)n2ncc(-c3cnc4ccc(F)cc4c3)c2n1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TTK P33981 13/20 0.38
CYP3A4 P08684 3/20 0.38
MAPK1 P28482 5/20 0.36
CDK2 P24941 1/20 0.35
CDK9 P50750 1/20 0.35
MAPK14 Q16539 1/20 0.34

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
SCHEMBL15026310 0.91 TTK (0.39) TTKCYP3A4MAPK1CDK2CDK9
SCHEMBL31400 0.91 TTK (0.39) TTKCYP3A4MAPK1CDK2CDK9
SCHEMBL30250 0.79 MEN1 (0.40) MAPK1MAPK14
SCHEMBL17787573 0.77 MAPK1 (0.35) MAPK1CDK9
SCHEMBL29141 0.74 NTRK1 (0.32) MAPK1MAPK14
SCHEMBL31390 0.74 NPC1 (0.43) TTKCYP3A4
SCHEMBL10235010 0.72 OPRK1 (0.36) CYP3A4MAPK1
SCHEMBL595888 0.71 NTRK1 (0.36) CDK2MAPK14
SCHEMBL30002 0.69 RIPK3 (0.35) MAPK1MAPK14
SCHEMBL7883776 0.69 NPC1 (0.36) TTKCYP3A4

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-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
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
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 TTK 542/4885CYP3A4 4621/4885MAPK1 1777/4885

“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.