SCHEMBL1600330

SCHEMBL1600330

CC(C)(C)c1cc(NC(=O)C(=O)c2ccc(Nc3ccnc(N4CCOCC4)c3)c3ccccc23)c(C(N)=O)s1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 7/20 0.41
MAPK9 P45984 3/20 0.41
MAPK14 Q16539 12/20 0.41
IRAK4 Q9NWZ3 1/20 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
SCHEMBL8534468 0.90 MAPK14 (0.41) MAPK10MAPK9MAPK14
SCHEMBL1600460 0.86 MAPK14 (0.47) MAPK10MAPK9MAPK14IRAK4
SCHEMBL4411181 0.83 MAPK14 (0.44) MAPK10MAPK9MAPK14IRAK4
SCHEMBL1600263 0.82 RAF1 (0.46) MAPK10MAPK9MAPK14
SCHEMBL1600085 0.81 MAPK10 (0.50) MAPK10MAPK9IRAK4
SCHEMBL1599878 0.81 MAPK14 (0.63) MAPK10MAPK14
SCHEMBL1600895 0.79 MAPK14 (0.65) MAPK14
SCHEMBL1600323 0.78 MAPK14 (0.63) MAPK10MAPK9MAPK14
SCHEMBL1599203 0.78 MAPK10 (0.47) MAPK10MAPK9
SCHEMBL1599924 0.77 MAPK14 (0.71) MAPK9MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670787-B1 CYTOKINE INHIBITORS ITHERX PHARMA INC (US) 2012-05-30 EP claimed
US-7749999-B2 Alpha-ketoamides and derivatives thereof ITHERX PHARMACEUTICALS, INC. (US) 2010-07-06 US claimed
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
EP-2035005-A2 THERAPY USING CYTOKINE INHIBITORS Kemia, INC. (US) 2009-03-18 EP disclosed
WO-2007146712-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-12-21 WO disclosed
WO-2007058990-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-24 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 MAPK10 587/4885MAPK9 623/4885MAPK14 371/4885
US-20100093734-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A MAPK10 587/4885MAPK9 623/4885MAPK14 371/4885
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF TNF, IL1A, IL1B MAPK10 2068/4885MAPK9 2576/4885MAPK14 696/4885
US-20100093735-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A MAPK10 587/4885MAPK9 623/4885MAPK14 371/4885

“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.