Sugi Predict

Sugi Predict / Compounds / SCHEMBL12561692

SCHEMBL12561692

SCHEMBL12561692

Oc1ccc(-c2nc(-c3ccc(Br)cc3)c(-c3ccccc3)[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 7/20 1.00
▸ MAPK12 P53778 7/20 1.00
▸ MAPK11 Q15759 7/20 1.00
▸ MAPK14 Q16539 7/20 1.00
▸ GCGR P47871 4/20 1.00
▸ TP53 P04637 4/20 1.00
▸ MAPT P10636 4/20 1.00
▸ RAF1 P04049 3/20 0.74
▸ BRAF P15056 1/20 0.74
▸ PTPN1 P18031 1/20 0.63
▸ SMPD3 Q9NY59 1/20 0.61
▸ NOX1 Q9Y5S8 2/20 0.59
▸ MAPK9 P45984 1/20 0.59
▸ KDM4E B2RXH2 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ GLA P06280 1/20 0.57
▸ GAA P10253 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ KMT2A Q03164 1/20 0.57

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
SCHEMBL14023448 0.94 MAPK14 (0.88) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL9619859 0.92 MAPK13 (0.85) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL5307418 0.92 MAPK13 (0.85) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL18292488 0.92 MAPK13 (0.85) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL11176392 0.92 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL15401173 0.92 MAPK13 (0.85) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL252964 0.92 MAPK13 (0.85) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL31255400 0.91 MAPK13 (0.83) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL12561713 0.91 MAPK13 (0.83) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL14045551 0.87 MAPK14 (0.77) MAPK13MAPK12MAPK11MAPK14GCGR

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-20150374669-A1 ARYL IMIDAZOLES AND THEIR USE AS ANTI-CANCER AGENTS LORUS THERAPEUTICS INC. (CA) 2015-12-31 — — US disclosed
US-20150374669-A1 ARYL IMIDAZOLES AND THEIR USE AS ANTI-CANCER AGENTS LORUS THERAPEUTICS INC. (CA) 2015-12-31 — — US disclosed
US-8969372-B2 Aryl imidazoles and their use as anti-cancer agents Aptose Boisciences Inc. (CA) 2015-03-03 — — US disclosed
US-8969372-B2 Aryl imidazoles and their use as anti-cancer agents Aptose Boisciences Inc. (CA) 2015-03-03 — — US disclosed
US-8394815-B2 2,4,5-trisubstituted imidazoles and their use as anti-microbial agents LORUS THERAPEUTICS INC. (CA) 2013-03-12 — — US disclosed
US-8394815-B2 2,4,5-trisubstituted imidazoles and their use as anti-microbial agents LORUS THERAPEUTICS INC. (CA) 2013-03-12 — — US disclosed
US-20110152337-A1 2,4,5-TRISUBSTITUTED IMIDAZOLES AND THEIR USE AS ANTI-MICROBIAL AGENTS LORUS THERAPEUTICS INC. (CA) 2011-06-23 — — US disclosed
US-20110152337-A1 2,4,5-TRISUBSTITUTED IMIDAZOLES AND THEIR USE AS ANTI-MICROBIAL AGENTS LORUS THERAPEUTICS INC. (CA) 2011-06-23 — — US disclosed
US-7884120-B2 microbiocides such as 2-(2-methyl-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole; bactericides; fungicides LORUS THERAPEUTICS INC. (CA) 2011-02-08 — — US disclosed
US-7884120-B2 microbiocides such as 2-(2-methyl-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole; bactericides; fungicides LORUS THERAPEUTICS INC. (CA) 2011-02-08 — — US disclosed
US-20080262015-A9 Aryl imidazoles and their use as anti-cancer agents LORUS THERAPEUTICS INC. (CA) 2008-10-23 — — US disclosed
US-20080262015-A9 Aryl imidazoles and their use as anti-cancer agents LORUS THERAPEUTICS INC. (CA) 2008-10-23 — — US disclosed
WO-2005047266-A9 ARYL IMIDAZOLES AND THEIR USE AS ANTI-CANCER AGENTS LORUS THERAPEUTICS INC (CA) 2008-04-17 — — WO disclosed
US-20070123553-A1 Aryl imidazoles and their use as anti-cancer agents LORUS THERAPEUTICS INC. (CA) 2007-05-31 — — US disclosed
US-20070123553-A1 Aryl imidazoles and their use as anti-cancer agents LORUS THERAPEUTICS INC. (CA) 2007-05-31 — — US disclosed
US-20070105929-A1 2, 4, 5 - Trisubstituted Imidazoles And Their Use As Anti-Microbial Agents APTOSE BIOSCIENCES INC. (CA) 2007-05-10 — — US disclosed
US-20070105929-A1 2, 4, 5 - Trisubstituted Imidazoles And Their Use As Anti-Microbial Agents APTOSE BIOSCIENCES INC. (CA) 2007-05-10 — — 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-20110152337-A1 2,4,5-TRISUBSTITUTED IMIDAZOLES AND THEIR USE AS ANTI-MICROBIAL AGENTS IDO2, ERG28, IL4 MAPK13 3668/4885MAPK12 3161/4885MAPK11 3626/4885
US-20070123553-A1 Aryl imidazoles and their use as anti-cancer agents AHR, AADAC, CBR3 MAPK13 4059/4885MAPK12 3204/4885MAPK11 3029/4885
US-20150374669-A1 ARYL IMIDAZOLES AND THEIR USE AS ANTI-CANCER AGENTS AHR, CBR3, AADAC MAPK13 4087/4885MAPK12 3446/4885MAPK11 3197/4885
US-20070105929-A1 2, 4, 5 - Trisubstituted Imidazoles And Their Use As Anti-Microbial Agents IDO2, ERG28, IL4 MAPK13 3668/4885MAPK12 3161/4885MAPK11 3626/4885
US-20080262015-A9 Aryl imidazoles and their use as anti-cancer agents AHR, AADAC, CBR3 MAPK13 4059/4885MAPK12 3204/4885MAPK11 3029/4885

“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.