SCHEMBL1082183

SCHEMBL1082183

C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1c(Br)c(CN(C(=O)O)C2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
HSP90AA1 P07900 1/20 0.33
PIK3CA P42336 2/20 0.32
AVPR1B P47901 1/20 0.32
HDAC1 Q13547 1/20 0.32
AKT1 P31749 2/20 0.32
MTOR P42345 2/20 0.32
PDE10A Q9Y233 1/20 0.31
TTK P33981 3/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL1074595 0.92 JAK1 (0.33) JAK1JAK3HSP90AA1PIK3CAHDAC1
SCHEMBL1075315 0.89 HSP90AA1 (0.33) JAK1JAK3HSP90AA1PIK3CAAVPR1B
SCHEMBL1023161 0.86 HSP90AA1 (0.34) JAK1JAK3HSP90AA1PIK3CAAVPR1B
SCHEMBL1074594 0.84 HSP90AA1 (0.32) JAK1JAK3HSP90AA1AVPR1B
SCHEMBL10328368 0.84 HSP90AA1 (0.32) JAK1JAK3HSP90AA1
SCHEMBL10328367 0.81 HSP90AA1 (0.32) JAK1JAK3HSP90AA1
SCHEMBL583583 0.80 HDAC1 (0.39) PIK3CAHDAC1MTORPDE10AMEN1
SCHEMBL2680181 0.79 DGAT1 (0.36) PIK3CAAVPR1BAKT1MTOR
SCHEMBL2703163 0.79 JAK1 (0.40) JAK1JAK3HSP90AA1PIK3CAHDAC1
SCHEMBL588534 0.78 HPGD (0.31) NPC1ALDH1A1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2448942-B1 FUSED TRICYCLIC COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME (US) 2014-09-24 EP disclosed
US-8609675-B2 Fused Tricyclic Compounds as novel mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2013-12-17 US disclosed
US-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-07-12 US disclosed
EP-2448942-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS Schering Corporation (US) 2012-05-09 EP disclosed
WO-2011002887-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS SCHERING CORPORATION (US) 2011-01-06 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-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MTOR, RICTOR, RPTOR JAK1 1133/4885JAK3 1503/4885HSP90AA1 2279/4885

“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.