Sugi Predict

Sugi Predict / Compounds / SCHEMBL6894519

SCHEMBL6894519

SCHEMBL6894519

C[C@@H](O)C(=O)N1CCC(Oc2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c3[nH]ccc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 7/20 0.40
▸ RPTOR Q8N122 3/20 0.40
▸ MLST8 Q9BVC4 3/20 0.40
▸ RET P07949 3/20 0.38
▸ KIF5B P33176 3/20 0.38
▸ KDR P35968 3/20 0.38
▸ ETV6 P41212 2/20 0.38
▸ CCDC6 Q16204 2/20 0.38
▸ ABL1 P00519 2/20 0.38
▸ LCK P06239 2/20 0.38
▸ NPM1 P06748 2/20 0.38
▸ CSF1R P07333 2/20 0.38
▸ LYN P07948 2/20 0.38
▸ PDGFRB P09619 2/20 0.38
▸ FGR P09769 2/20 0.38
▸ KIT P10721 2/20 0.38
▸ BCR P11274 2/20 0.38
▸ SRC P12931 2/20 0.38
▸ PDGFRA P16234 2/20 0.38
▸ FGFR2 P21802 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
SCHEMBL6891641 0.89 PIK3CD (0.41) MTORRPTORMLST8RETKIF5B
SCHEMBL6894512 0.87 MTOR (0.48) MTORRPTORMLST8GHSRJAK1
SCHEMBL1073541 0.85 MTOR (0.40) MTORRPTORMLST8GHSRJAK1
SCHEMBL1022445 0.84 RET (0.49) MTORRPTORMLST8RETKIF5B
SCHEMBL2680040 0.83 RET (0.46) MTORRPTORMLST8RETKIF5B
SCHEMBL2680037 0.83 RET (0.46) MTORRPTORMLST8RETKIF5B
SCHEMBL2679880 0.82 RET (0.45) MTORRPTORMLST8RETKIF5B
SCHEMBL2679882 0.82 RET (0.45) MTORRPTORMLST8RETKIF5B
SCHEMBL10238805 0.81 RET (0.39) MTORRPTORMLST8RETKIF5B
SCHEMBL10238808 0.81 RET (0.39) MTORRPTORMLST8RETKIF5B

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.