SCHEMBL1600579

SCHEMBL1600579

COc1ccc(CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C)cc2)cc1Br

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.54
MAPK14 Q16539 7/20 0.53
MAPK12 P53778 4/20 0.50
MAPK13 O15264 3/20 0.50
MAPK11 Q15759 3/20 0.50
NTRK1 P04629 1/20 0.49
RECQL P46063 1/20 0.49
JAK2 O60674 1/20 0.49
HCK P08631 1/20 0.49
PTK2 Q05397 2/20 0.49
CCNC P24863 1/20 0.48
EPHX2 P34913 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL13199967 0.85 MAPK14 (0.61) CDK8MAPK14MAPK12MAPK13MAPK11
SCHEMBL1600103 0.85 CDK8 (0.62) CDK8MAPK14MAPK12MAPK13MAPK11
SCHEMBL1599663 0.83 MAPK14 (0.65) CDK8MAPK14MAPK12MAPK13MAPK11
SCHEMBL1598855 0.81 MAPK14 (0.62) CDK8MAPK14MAPK12MAPK13MAPK11
SCHEMBL1600182 0.81 CDK8 (0.60) CDK8MAPK14MAPK12MAPK13MAPK11
SCHEMBL4882965 0.81 CDK8 (0.62) CDK8MAPK14MAPK12MAPK13MAPK11
SCHEMBL1600070 0.81 MAPK14 (0.63) CDK8MAPK14MAPK12MAPK13MAPK11
SCHEMBL13199966 0.81 MAPK14 (0.63) CDK8MAPK14MAPK12MAPK13MAPK11
SCHEMBL1600918 0.80 MAPK14 (0.68) CDK8MAPK14MAPK12MAPK13MAPK11
SCHEMBL1599576 0.80 MAPK14 (0.61) CDK8MAPK14MAPK12MAPK13MAPK11

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 19 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
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
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 CDK8 2319/4885MAPK14 371/4885MAPK12 521/4885
US-20100093734-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A CDK8 2319/4885MAPK14 371/4885MAPK12 521/4885
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF TNF, IL1A, IL1B CDK8 988/4885MAPK14 696/4885MAPK12 751/4885
US-20100093735-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A CDK8 2319/4885MAPK14 371/4885MAPK12 521/4885

“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.