Sugi Predict

Sugi Predict / Compounds / SCHEMBL6891460

SCHEMBL6891460

SCHEMBL6891460

O=S1(=O)CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c3[nH]ncc23)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 6/20 0.65
▸ RPTOR Q8N122 5/20 0.65
▸ MLST8 Q9BVC4 5/20 0.65
▸ CHEK1 O14757 5/20 0.36
▸ CCNA2 P20248 4/20 0.36
▸ CDK2 P24941 4/20 0.36
▸ CCNA1 P78396 4/20 0.36
▸ JAK1 P23458 1/20 0.33
▸ CAMKK1 Q8N5S9 1/20 0.33
▸ CAMKK2 Q96RR4 1/20 0.33
▸ MAPT P10636 3/20 0.32
▸ PLAT P00750 1/20 0.32
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ WNT3A P56704 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NR2F2 P24468 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL6890663 0.92 MTOR (0.56) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL6890659 0.88 MTOR (0.52) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL6890896 0.84 MTOR (0.52) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL6893613 0.82 MTOR (0.46) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL6890625 0.80 MTOR (0.52) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL2688635 0.80 MTOR (0.43) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10328347 0.80 MTOR (0.44) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL7883621 0.79 MTOR (0.43) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL2695309 0.79 MTOR (0.43) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL6890478 0.79 MTOR (0.42) MTORRPTORMLST8PLAT

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 6 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
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.