Sugi Predict

Sugi Predict / Compounds / SCHEMBL6893589

SCHEMBL6893589

SCHEMBL6893589

O=C([C@H](O)CO)N1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c3[nH]ccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 5/20 0.47
▸ RPTOR Q8N122 4/20 0.47
▸ MLST8 Q9BVC4 4/20 0.47
▸ TTK P33981 1/20 0.35
▸ HTR2B P41595 3/20 0.34
▸ JAK1 P23458 4/20 0.34
▸ JAK3 P52333 3/20 0.34
▸ JAK2 O60674 3/20 0.34
▸ TYK2 P29597 2/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CCNA1 P78396 1/20 0.34
▸ GHSR Q92847 1/20 0.33
▸ KDM5A P29375 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ MAPK1 P28482 1/20 0.31

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 0.91 MTOR (0.48) MTORRPTORMLST8TTKHTR2B
SCHEMBL6891287 0.88 MTOR (0.48) MTORRPTORMLST8TTKHTR2B
SCHEMBL6890126 0.87 MTOR (0.49) MTORRPTORMLST8HTR2BJAK1
SCHEMBL1023287 0.83 MTOR (0.53) MTORRPTORMLST8JAK1JAK3
SCHEMBL10234640 0.83 CHEK1 (0.44) MTORRPTORMLST8TTKCHEK1
SCHEMBL6894437 0.83 CHEK1 (0.44) MTORRPTORMLST8TTKCHEK1
SCHEMBL10234651 0.83 CHEK1 (0.44) MTORRPTORMLST8TTKCHEK1
SCHEMBL16104570 0.82 MTOR (0.51) MTORRPTORMLST8
SCHEMBL1073657 0.82 MTOR (0.51) MTORRPTORMLST8
SCHEMBL6892718 0.82 MTOR (0.51) MTORRPTORMLST8CHEK1CCNA2

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 9 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
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

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.