Sugi Predict

Sugi Predict / Compounds / SCHEMBL6893533

SCHEMBL6893533

SCHEMBL6893533

Cc1n[nH]c2c1c(C1CCN(C(=O)[C@@H](C)O)CC1)nc1c(-c3ccc(-c4ccccc4)nc3)cnn12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 8/20 0.48
▸ RPTOR Q8N122 3/20 0.48
▸ MLST8 Q9BVC4 3/20 0.48
▸ KDM5A P29375 4/20 0.39
▸ HTR2B P41595 2/20 0.37
▸ TTK P33981 1/20 0.36
▸ PIK3CA P42336 4/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ IGF1R P08069 2/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CDK2 P24941 2/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CDK8 P49336 1/20 0.35
▸ CDK7 P50613 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ CHEK1 O14757 1/20 0.34
▸ CCNA2 P20248 1/20 0.34

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
SCHEMBL16104566 0.88 MTOR (0.49) MTORRPTORMLST8KDM5AHTR2B
SCHEMBL6892350 0.85 MTOR (0.52) MTORRPTORMLST8KCNH2CDK2
SCHEMBL10277447 0.85 MTOR (0.52) MTORRPTORMLST8KCNH2CDK2
SCHEMBL6893503 0.85 MTOR (0.44) MTORRPTORMLST8KDM5AHTR2B
SCHEMBL6894512 0.85 MTOR (0.48) MTORRPTORMLST8KDM5AHTR2B
SCHEMBL1074944 0.84 MTOR (0.50) MTORRPTORMLST8CDK2MAPK1
SCHEMBL6890896 0.84 MTOR (0.52) MTORRPTORMLST8CDK2MAPK1
SCHEMBL1072878 0.83 MTOR (0.50) MTORRPTORMLST8KCNH2
SCHEMBL2679698 0.83 MTOR (0.41) MTORRPTORMLST8KDM5ATTK
SCHEMBL2679695 0.83 MTOR (0.41) MTORRPTORMLST8KDM5ATTK

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.