Sugi Predict

Sugi Predict / Compounds / SCHEMBL68153

SCHEMBL68153

SCHEMBL68153

C[Si](C)(C)CCOCn1c(-c2ccccc2)nc(-c2ccncc2)c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 3/20 0.39
▸ MAPK13 O15264 2/20 0.39
▸ MAPK12 P53778 2/20 0.39
▸ MAPK11 Q15759 2/20 0.39
▸ DGAT1 O75907 1/20 0.38
▸ IDO1 P14902 1/20 0.37
▸ F11 P03951 1/20 0.36
▸ AKT1 P31749 1/20 0.36
▸ GCGR P47871 1/20 0.35
▸ TNK2 Q07912 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ MAPT P10636 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAPK1 P28482 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
SCHEMBL16497612 0.90 DGAT1 (0.44) DGAT1NPC1RAB9AMEN1KMT2A
SCHEMBL16497632 0.84 DGAT1 (0.41) DGAT1F11KDM4EHSD17B10MAPT
SCHEMBL84698 0.84 KDM4E (0.37) MAPK14MAPK13MAPK12MAPK11DGAT1
SCHEMBL4839289 0.83 F11 (0.39) DGAT1F11KDM4EHSD17B10MAPT
SCHEMBL67447 0.83 DGAT1 (0.40) DGAT1F11KDM4EHSD17B10MAPT
SCHEMBL16497623 0.82 MEN1 (0.40) MAPK14MAPK13MAPK12MAPK11IDO1
SCHEMBL16497629 0.81 BRAF (0.44) MAPK14MAPK13MAPK12MAPK11F11
SCHEMBL16510873 0.81 MEN1 (0.39) MAPK14MAPK13MAPK12MAPK11F11
SCHEMBL16511084 0.80 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11TNK2
SCHEMBL2145931 0.80 TEK (0.39) MAPK14MAPK13MAPK12MAPK11IDO1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 — — US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 — — US disclosed
US-20130040983-A1 RAF KINASE INHIBITORS RUGA CORPORATION 2013-02-14 — — US disclosed
US-20130040983-A1 RAF KINASE INHIBITORS RUGA CORPORATION 2013-02-14 — — US disclosed
US-20130040983-A1 RAF KINASE INHIBITORS RUGA CORPORATION 2013-02-14 — — US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 — — US disclosed
WO-2011085269-A1 RAF KINASE INHIBITORS SELEXAGEN THERAPEUTICS, INC. (US) 2011-07-14 — — WO disclosed
WO-2011085269-A1 RAF KINASE INHIBITORS SELEXAGEN THERAPEUTICS, INC. (US) 2011-07-14 — — WO disclosed
WO-2011038261-A1 HETEROCYCLIC KINASE INHIBITORS SELEXAGEN THERAPEUTICS, INC. (US) 2011-03-31 — — WO disclosed
WO-2011038261-A1 HETEROCYCLIC KINASE INHIBITORS SELEXAGEN THERAPEUTICS, INC. (US) 2011-03-31 — — WO disclosed
EP-2274300-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF Novartis AG (CH) 2011-01-19 — — EP disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 — — US disclosed
WO-2009115572-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF NOVARTIS AG (CH) 2009-09-24 — — WO disclosed
US-20070135433-A1 IMIDAZOLE DERIVATIVES AS RAF KINASE INHIBITORS DEAN DAVID K 2007-06-14 — — US disclosed
US-7199137-B2 Imidazole derivatives as Raf kinase inhibitors SMITHKLINE BEECHAM PLC (GB) 2007-04-03 — — US disclosed
EP-1318992-B1 IMIDAZOLE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2005-07-27 — — EP disclosed
US-20040038964-A1 Imidazole derivatives as raf kinase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-26 — — 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 (5 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-20130040983-A1 RAF KINASE INHIBITORS BRAF, RAF1, ARAF MAPK14 193/4885MAPK13 142/4885MAPK12 146/4885
US-20070135433-A1 IMIDAZOLE DERIVATIVES AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF MAPK14 88/4885MAPK13 80/4885MAPK12 108/4885
US-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS MAPK14 484/4885MAPK13 178/4885MAPK12 501/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS MAPK14 218/4885MAPK13 197/4885MAPK12 353/4885
US-20040038964-A1 Imidazole derivatives as raf kinase inhibitors BRAF, RAF1, ARAF MAPK14 74/4885MAPK13 68/4885MAPK12 98/4885

“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.