Sugi Predict

Sugi Predict / Compounds / SCHEMBL6894512

SCHEMBL6894512

SCHEMBL6894512

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 9/20 0.48
▸ RPTOR Q8N122 3/20 0.48
▸ MLST8 Q9BVC4 3/20 0.48
▸ KDM5A P29375 1/20 0.36
▸ TTK P33981 1/20 0.36
▸ GHSR Q92847 1/20 0.36
▸ HTR2B P41595 2/20 0.35
▸ GUCY1A1 Q02108 3/20 0.35
▸ GUCY1B1 Q02153 3/20 0.35
▸ JAK1 P23458 3/20 0.34
▸ PIK3CA P42336 4/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ JAK2 O60674 2/20 0.33
▸ TYK2 P29597 2/20 0.33
▸ JAK3 P52333 2/20 0.33

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
SCHEMBL6893589 0.91 MTOR (0.47) MTORRPTORMLST8KDM5ATTK
SCHEMBL6890126 0.88 MTOR (0.49) MTORRPTORMLST8GHSRHTR2B
SCHEMBL1073541 0.87 MTOR (0.40) MTORRPTORMLST8TTKGHSR
SCHEMBL6894519 0.87 MTOR (0.40) MTORRPTORMLST8GHSRJAK1
SCHEMBL6893503 0.86 MTOR (0.44) MTORRPTORMLST8KDM5ATTK
SCHEMBL6891287 0.86 MTOR (0.48) MTORRPTORMLST8TTKGHSR
SCHEMBL6893533 0.85 MTOR (0.48) MTORRPTORMLST8KDM5ATTK
SCHEMBL1023287 0.84 MTOR (0.53) MTORRPTORMLST8GHSRJAK1
SCHEMBL6892718 0.83 MTOR (0.51) MTORRPTORMLST8
SCHEMBL6890659 0.82 MTOR (0.52) MTORRPTORMLST8GHSRJAK1

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 8 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

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.