SCHEMBL1600736

SCHEMBL1600736

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Cc2ccccc2Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.64
JAK2 O60674 1/20 0.62
MAPK13 O15264 5/20 0.60
MAPK12 P53778 5/20 0.60
MAPK11 Q15759 5/20 0.60
CDK8 P49336 1/20 0.60
TRPV1 Q8NER1 1/20 0.57
DDR2 Q16832 1/20 0.54
GAA P10253 2/20 0.53

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
SCHEMBL1600606 0.89 MAPK14 (0.66) MAPK14JAK2MAPK13MAPK12MAPK11
SCHEMBL1600218 0.88 TRPV1 (0.59) MAPK14JAK2MAPK13MAPK12MAPK11
SCHEMBL1598855 0.85 MAPK14 (0.62) MAPK14JAK2MAPK13MAPK12MAPK11
SCHEMBL1600067 0.85 MAPK14 (0.68) MAPK14JAK2MAPK13MAPK12MAPK11
SCHEMBL1600918 0.84 MAPK14 (0.68) MAPK14JAK2MAPK13MAPK12MAPK11
SCHEMBL1599883 0.83 MAPK14 (0.62) MAPK14JAK2MAPK13MAPK12MAPK11
SCHEMBL1600182 0.83 CDK8 (0.60) MAPK14JAK2MAPK13MAPK12MAPK11
SCHEMBL13199966 0.83 MAPK14 (0.63) MAPK14JAK2MAPK13MAPK12MAPK11
SCHEMBL1284027 0.82 JAK2 (0.81) MAPK14JAK2MAPK13MAPK12MAPK11
SCHEMBL1599299 0.81 MAPK14 (0.63) MAPK14JAK2MAPK13MAPK12MAPK11

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 18 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
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 371/4885JAK2 47/4885MAPK13 765/4885
US-20100093734-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A MAPK14 371/4885JAK2 47/4885MAPK13 765/4885
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF TNF, IL1A, IL1B MAPK14 696/4885JAK2 467/4885MAPK13 1755/4885
US-20100093735-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A MAPK14 371/4885JAK2 47/4885MAPK13 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.