SCHEMBL31400

SCHEMBL31400

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TTK P33981 14/20 0.39
CYP3A4 P08684 3/20 0.39
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CDK2 P24941 1/20 0.37
CDK9 P50750 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GCG P01275 1/20 0.36
MAPK1 P28482 1/20 0.35
NTRK1 P04629 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 0.94 TTK (0.39) TTKCYP3A4KDM4ENPC1RAB9A
SCHEMBL30715 0.91 TTK (0.38) TTKCYP3A4CDK2CDK9MAPK1
SCHEMBL30250 0.82 MEN1 (0.40) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL29141 0.76 NTRK1 (0.32) MAPK1NTRK1
SCHEMBL10235010 0.75 OPRK1 (0.36) CYP3A4KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL595888 0.74 NTRK1 (0.36) KDM4ENPC1RAB9ASMN1; SMN2CDK2
SCHEMBL30002 0.72 RIPK3 (0.35) MAPK1NTRK1
SCHEMBL29902 0.71 KDM4E (0.47) TTKKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL10239331 0.71 MET (0.37) KDM4ENPC1RAB9ASMN1; SMN2CDK2
SCHEMBL7883776 0.70 NPC1 (0.36) TTKCYP3A4KDM4ENPC1RAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 4621/4885KDM4E 2514/4885

“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.