Sugi Predict

Sugi Predict / Compounds / SCHEMBL1073541

SCHEMBL1073541

SCHEMBL1073541

C[C@@H](O)C(=O)N1CCC(Cc2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c3[nH]ccc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 7/20 0.40
▸ RPTOR Q8N122 3/20 0.40
▸ MLST8 Q9BVC4 3/20 0.40
▸ HTR2B P41595 2/20 0.36
▸ GHSR Q92847 1/20 0.34
▸ JAK1 P23458 1/20 0.33
▸ TTK P33981 1/20 0.33
▸ PIK3CA P42336 3/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ACACB O00763 2/20 0.33
▸ ACACA Q13085 2/20 0.33
▸ GPR119 Q8TDV5 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL6894512 0.87 MTOR (0.48) MTORRPTORMLST8HTR2BGHSR
SCHEMBL6894519 0.85 MTOR (0.40) MTORRPTORMLST8GHSRJAK1
SCHEMBL6891588 0.84 CHEK1 (0.42) MTORRPTORMLST8
SCHEMBL2679073 0.83 CHEK1 (0.47) MTORRPTORMLST8TTKPIK3CA
SCHEMBL2679076 0.83 CHEK1 (0.47) MTORRPTORMLST8TTKPIK3CA
SCHEMBL2680141 0.82 CDK2 (0.36) MTORRPTORMLST8TTKPIK3CA
SCHEMBL2679448 0.82 CDK2 (0.36) MTORRPTORMLST8TTKPIK3CA
SCHEMBL6893589 0.79 MTOR (0.47) MTORRPTORMLST8HTR2BGHSR
SCHEMBL6890126 0.77 MTOR (0.49) MTORRPTORMLST8HTR2BGHSR
SCHEMBL6893503 0.76 MTOR (0.44) MTORRPTORMLST8HTR2BTTK

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 11 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
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
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
EP-2448942-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS Schering Corporation (US) 2012-05-09 — — EP disclosed
US-20110054013-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME CORP. 2011-03-03 — — US disclosed
US-20110054013-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME CORP. 2011-03-03 — — 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 (2 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 MTOR 1/4885RPTOR 3/4885MLST8 14/4885
US-20110054013-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS BACE1, BACE2, PSEN1 MTOR 1824/4885RPTOR 3265/4885MLST8 2126/4885

“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.