Sugi Predict

Sugi Predict / Compounds / SCHEMBL6890434

SCHEMBL6890434

SCHEMBL6890434

CCOC(=O)C1CCC(Cc2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)c2Br)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 6/20 0.40
▸ KDM4E B2RXH2 7/20 0.34
▸ ALDH1A1 P00352 6/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ HPGD P15428 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ NFKB1 P19838 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ NFKB2 Q00653 2/20 0.34
▸ RELA Q04206 2/20 0.34
▸ TP53 P04637 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ STAT1 P42224 1/20 0.34
▸ TSHR P16473 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CCNA1 P78396 1/20 0.34
▸ MTOR P42345 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
SCHEMBL10277748 0.92 DGAT1 (0.39) DGAT1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL1073112 0.91 DGAT1 (0.39) DGAT1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL10238841 0.89 DGAT1 (0.38) DGAT1NPC1RAB9ACHEK1CCNA2
SCHEMBL1074751 0.86 DGAT1 (0.41) DGAT1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL584172 0.83 DGAT1 (0.51) DGAT1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL2705740 0.82 DGAT1 (0.41) DGAT1CHEK1CCNA2CDK2CCNA1
SCHEMBL7875874 0.82 DGAT1 (0.38) DGAT1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL6889988 0.81 DGAT1 (0.39) DGAT1CHEK1CCNA2CDK2CCNA1
SCHEMBL10277566 0.81 DGAT1 (0.39) DGAT1CHEK1CCNA2CDK2CCNA1
SCHEMBL2679956 0.81 DGAT1 (0.42) DGAT1KDM4EALDH1A1SMN1; SMN2HPGD

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 7 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
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 (1 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 DGAT1 3898/4885KDM4E 799/4885ALDH1A1 4261/4885

“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.