SCHEMBL1600103

SCHEMBL1600103

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Cc2ccc(Br)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.62
RECQL P46063 1/20 0.60
MAPK14 Q16539 11/20 0.60
MAPK12 P53778 5/20 0.56
MAPK13 O15264 4/20 0.56
MAPK11 Q15759 4/20 0.56
JAK2 O60674 1/20 0.56
PTK2 Q05397 4/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C9 P11712 2/20 0.53
DDR2 Q16832 3/20 0.52
CCNC P24863 1/20 0.52
CYP2C8 P10632 1/20 0.50
HCK P08631 1/20 0.49

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
SCHEMBL13199966 0.89 MAPK14 (0.63) CDK8MAPK14MAPK12MAPK13MAPK11
SCHEMBL4882965 0.89 CDK8 (0.62) CDK8MAPK14MAPK12MAPK13MAPK11
SCHEMBL1600918 0.89 MAPK14 (0.68) CDK8RECQLMAPK14MAPK12MAPK13
SCHEMBL13199967 0.87 MAPK14 (0.61) CDK8RECQLMAPK14MAPK12MAPK13
SCHEMBL1599299 0.87 MAPK14 (0.63) CDK8RECQLMAPK14MAPK12MAPK13
SCHEMBL1600182 0.85 CDK8 (0.60) CDK8MAPK14MAPK12MAPK13MAPK11
SCHEMBL1600579 0.85 CDK8 (0.54) CDK8RECQLMAPK14MAPK12MAPK13
SCHEMBL1599948 0.84 CDK8 (0.62) CDK8MAPK14MAPK12MAPK13MAPK11
SCHEMBL1600070 0.84 MAPK14 (0.63) CDK8MAPK14MAPK12MAPK13MAPK11
SCHEMBL1599576 0.84 MAPK14 (0.61) CDK8RECQLMAPK14MAPK12MAPK13

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 2319/4885RECQL 4010/4885MAPK14 371/4885
US-20100093734-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A CDK8 2319/4885RECQL 4010/4885MAPK14 371/4885
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF TNF, IL1A, IL1B CDK8 988/4885RECQL 4656/4885MAPK14 696/4885
US-20100093735-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A CDK8 2319/4885RECQL 4010/4885MAPK14 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.