SCHEMBL1601140

SCHEMBL1601140

COc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)C(=O)c2ccc(Nc3ccnc(N4CCOCC4)n3)c3ccccc23)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.51
CDK8 P49336 6/20 0.51
MAPK9 P45984 3/20 0.51
CSNK1A1 P48729 2/20 0.46
MAPK12 P53778 3/20 0.45
MAPK13 O15264 2/20 0.45
MAPK11 Q15759 2/20 0.45
TNF P01375 2/20 0.45
DDR2 Q16832 1/20 0.45
CDK5 Q00535 1/20 0.45
SRC P12931 3/20 0.45
SYK P43405 3/20 0.45
GSK3A P49840 3/20 0.45

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
SCHEMBL1600301 0.92 MAPK14 (0.54) MAPK14CDK8MAPK9MAPK12MAPK13
SCHEMBL1598985 0.90 MAPK14 (0.61) MAPK14CDK8MAPK9CSNK1A1MAPK12
SCHEMBL1600345 0.87 MAPK14 (0.53) MAPK14CDK8MAPK9CSNK1A1MAPK12
SCHEMBL1599290 0.87 MAPK14 (0.59) MAPK14CDK8MAPK9MAPK12MAPK13
SCHEMBL4950833 0.86 MAPK14 (0.49) MAPK14CDK8MAPK9CSNK1A1MAPK12
SCHEMBL1599053 0.86 MAPK14 (0.57) MAPK14CDK8MAPK9CSNK1A1MAPK12
SCHEMBL1599955 0.79 MAPK14 (0.62) MAPK14
SCHEMBL1599895 0.78 MAPK14 (0.81) MAPK14CDK8MAPK9MAPK12MAPK13
SCHEMBL1599366 0.78 MAPK14 (0.48) MAPK14
SCHEMBL1600014 0.78 MAPK14 (0.64) MAPK14GSK3A

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-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 371/4885CDK8 2319/4885MAPK9 623/4885
US-20100093734-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A MAPK14 371/4885CDK8 2319/4885MAPK9 623/4885
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF TNF, IL1A, IL1B MAPK14 696/4885CDK8 988/4885MAPK9 2576/4885
US-20100093735-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A MAPK14 371/4885CDK8 2319/4885MAPK9 623/4885

“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.