SCHEMBL1600121

SCHEMBL1600121

Cn1nc(C(C)(C)C)cc1NC(=O)Cc1ccc(OCCN2CCOCC2)c2ccccc12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.75
TNF P01375 6/20 0.63
MAPK13 O15264 2/20 0.63
MAPK12 P53778 2/20 0.63
MAPK11 Q15759 2/20 0.63
DDR2 Q16832 3/20 0.61
CIT O14578 1/20 0.61
MUSK O15146 1/20 0.61
MAP3K7 O43318 1/20 0.61
RIPK2 O43353 1/20 0.61
STK10 O94804 1/20 0.61
MAP4K4 O95819 1/20 0.61
CHEK2 O96017 1/20 0.61
ABL1 P00519 1/20 0.61
EGFR P00533 1/20 0.61
RAF1 P04049 1/20 0.61
NTRK1 P04629 1/20 0.61
HSPB1 P04792 1/20 0.61
PRKCB P05771 1/20 0.61
LCK P06239 1/20 0.61

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
SCHEMBL1599928 0.90 MAPK14 (0.77) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL294827 0.85 MAPK14 (1.00) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL29593532 0.85 MAPK14 (1.00) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL1599098 0.85 MAPK14 (1.00) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL1599116 0.84 MAPK14 (0.82) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL1599112 0.84 MAPK14 (0.82) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL1600174 0.83 MAPK14 (0.61) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL20883146 0.80 MAPK14 (0.72) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL1600234 0.80 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL1599846 0.79 MAPK14 (1.00) MAPK14TNFMAPK13MAPK12MAPK11

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
EP-1670787-A4 CYTOKINE INHIBITORS KEMIA INC (US) 2009-04-22 EP claimed
EP-1670787-A2 CYTOKINE INHIBITORS Kemia, INC. (US) 2006-06-21 EP claimed
US-20050107399-A1 Cytokine inhibitors KEMIA, INC. 2005-05-19 US claimed
WO-2005023761-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2005-03-17 WO claimed
EP-1670787-B1 CYTOKINE INHIBITORS ITHERX PHARMA INC (US) 2012-05-30 EP disclosed
US-7919617-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-04-05 US disclosed
US-7897599-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-03-01 US disclosed
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF ITHERX PHARMACEUTICALS, INC. 2010-10-28 US disclosed
US-7749999-B2 Alpha-ketoamides and derivatives thereof ITHERX PHARMACEUTICALS, INC. (US) 2010-07-06 US disclosed
US-20100093734-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
US-20100093735-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
EP-1670787-A4 CYTOKINE INHIBITORS KEMIA INC (US) 2009-04-22 EP disclosed
WO-2007058990-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-24 WO disclosed
WO-2006091862-A2 CYTOKINE INHIBITORS AND THEIR USE IN THERAPY KEMIA, INC. (US) 2006-08-31 WO disclosed
EP-1670787-A2 CYTOKINE INHIBITORS Kemia, INC. (US) 2006-06-21 EP disclosed
US-20050107399-A1 Cytokine inhibitors KEMIA, INC. 2005-05-19 US disclosed
WO-2005023761-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2005-03-17 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 (4 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-20050107399-A1 Cytokine inhibitors TNF, IL1RN, IL1A MAPK14 371/4885TNF 1/4885MAPK13 765/4885
US-20100093734-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A MAPK14 371/4885TNF 1/4885MAPK13 765/4885
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF TNF, IL1A, IL1B MAPK14 696/4885TNF 1/4885MAPK13 1755/4885
US-20100093735-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A MAPK14 371/4885TNF 1/4885MAPK13 765/4885

“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.