SCHEMBL6890894

SCHEMBL6890894

C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(CNC2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.36
JAK3 P52333 1/20 0.36
HSP90AA1 P07900 2/20 0.36
MTOR P42345 2/20 0.32
PIK3CA P42336 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MEN1 O00255 1/20 0.31
NR2F2 P24468 1/20 0.31
KMT2A Q03164 1/20 0.31
LRRK2 Q5S007 1/20 0.31
AVPR1B P47901 1/20 0.31
MET P08581 2/20 0.30
PIM1 P11309 1/20 0.30
AKT1 P31749 1/20 0.30
TTK P33981 3/20 0.30
CYP3A4 P08684 1/20 0.30
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL1023161 0.85 HSP90AA1 (0.34) JAK1JAK3HSP90AA1MTORPIK3CA
SCHEMBL584192 0.85 HSP90AA1 (0.38) HSP90AA1MTORPIK3CANPC1RAB9A
SCHEMBL29142 0.84 MET (0.32) METTTKCYP3A4
SCHEMBL584040 0.82 ATR (0.41) MTORPIK3CANPC1RAB9AMEN1
SCHEMBL1027004 0.81 HSP90AA1 (0.32) JAK1JAK3HSP90AA1PIK3CAAVPR1B
SCHEMBL7879162 0.81 RAB9A (0.39) NPC1RAB9AMEN1NR2F2KMT2A
SCHEMBL31339 0.80 KDM4E (0.33) PIK3CANPC1RAB9AMEN1KMT2A
SCHEMBL6893755 0.80 JAK1 (0.44) JAK1JAK3HSP90AA1MTORPIK3CA
SCHEMBL1027003 0.80 HSP90AA1 (0.32) JAK1JAK3HSP90AA1PIK3CAAVPR1B
SCHEMBL1083466 0.78 AKR1C3 (0.32) PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-07-12 US 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.