SCHEMBL1027004

SCHEMBL1027004

CC(C)(C)OC(=O)N(Cc1cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n2ncc(-c3cnc4ccccc4c3)c2n1)C1CCOCC1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
PIK3CA P42336 1/20 0.31
GPR119 Q8TDV5 1/20 0.30
AVPR1B P47901 1/20 0.30
HDAC1 Q13547 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 0.91 HSP90AA1 (0.34) HSP90AA1JAK1JAK3PIK3CAAVPR1B
SCHEMBL1074595 0.87 JAK1 (0.33) HSP90AA1JAK1JAK3PIK3CAHDAC1
SCHEMBL10239203 0.85 GRK2 (0.31)
SCHEMBL10328368 0.85 HSP90AA1 (0.32) HSP90AA1JAK1JAK3
SCHEMBL16104565 0.85 PIK3CA (0.39) HSP90AA1JAK1JAK3PIK3CAHDAC1
SCHEMBL7879209 0.82 NR1H4 (0.31)
SCHEMBL6890894 0.81 JAK1 (0.36) HSP90AA1JAK1JAK3PIK3CAAVPR1B
SCHEMBL1027003 0.81 HSP90AA1 (0.32) HSP90AA1JAK1JAK3PIK3CAGPR119
SCHEMBL1073469 0.80 JAK3 (0.37) HSP90AA1JAK1JAK3PIK3CAHDAC1
SCHEMBL584192 0.79 HSP90AA1 (0.38) HSP90AA1PIK3CAAVPR1B

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 4 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
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
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 HSP90AA1 2279/4885JAK1 1133/4885JAK3 1503/4885

“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.