Sugi Predict

Sugi Predict / Compounds / SCHEMBL6889175

SCHEMBL6889175

SCHEMBL6889175

CC(=O)c1c(N)n2ncc(-c3ccc(-c4ccccc4)nc3)c2nc1[C@H]1CC[C@H](C(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 3/20 0.44
▸ RPTOR Q8N122 3/20 0.44
▸ MLST8 Q9BVC4 3/20 0.44
▸ CHEK1 O14757 4/20 0.39
▸ CCNA2 P20248 4/20 0.39
▸ CDK2 P24941 4/20 0.39
▸ CCNA1 P78396 4/20 0.39
▸ NEK2 P51955 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ NPC1 O15118 6/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ CASP3 P42574 2/20 0.39
▸ SENP8 Q96LD8 2/20 0.39
▸ SENP7 Q9BQF6 2/20 0.39
▸ SENP6 Q9GZR1 2/20 0.39
▸ RAB9A P51151 5/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ TP53 P04637 2/20 0.38

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
SCHEMBL10277202 1.00 MTOR (0.44) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL7882513 0.93 KMT2A (0.40) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10237615 0.92 MTOR (0.45) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL7874679 0.91 NEK2 (0.45) MTORRPTORMLST8NEK2NPC1
SCHEMBL7878864 0.91 MTOR (0.45) MTORRPTORMLST8CHEK1CCNA2
Bicarbonate SCHEMBL17836416 0.90 MTOR (0.44) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10277578 0.90 MTOR (0.36) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL2679688 0.89 MTOR (0.44) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL595085 0.89 CHEK1 (0.48) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10234287 0.89 NEK2 (0.43) 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 10 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-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 — — US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 — — US disclosed
WO-2011002887-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS SCHERING CORPORATION (US) 2011-01-06 — — WO disclosed
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 — — 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-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR MTOR 1/4885RPTOR 3/4885MLST8 15/4885

“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.