SCHEMBL1600301

SCHEMBL1600301

Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)C(=O)c2ccc(Nc3ccnc(N4CCOCC4)n3)c3ccccc23)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.54
MAPK9 P45984 4/20 0.47
CDK8 P49336 2/20 0.47
MAPK12 P53778 3/20 0.47
HCK P08631 2/20 0.47
TNF P01375 3/20 0.46
SRC P12931 3/20 0.46
DDR2 Q16832 2/20 0.46
MAPK13 O15264 2/20 0.46
MAPK11 Q15759 2/20 0.46
ABL1 P00519 2/20 0.46
RAF1 P04049 2/20 0.46
LYN P07948 2/20 0.46
CIT O14578 1/20 0.46
MUSK O15146 1/20 0.46
MAP3K7 O43318 1/20 0.46
RIPK2 O43353 1/20 0.46
STK10 O94804 1/20 0.46
MAP4K4 O95819 1/20 0.46
CHEK2 O96017 1/20 0.46

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
SCHEMBL4950833 0.94 MAPK14 (0.49) MAPK14MAPK9CDK8MAPK12DDR2
SCHEMBL1598985 0.94 MAPK14 (0.61) MAPK14MAPK9CDK8MAPK12HCK
SCHEMBL1601140 0.92 MAPK14 (0.51) MAPK14MAPK9CDK8MAPK12TNF
SCHEMBL1599290 0.88 MAPK14 (0.59) MAPK14MAPK9CDK8MAPK12HCK
SCHEMBL1600323 0.83 MAPK14 (0.63) MAPK14MAPK9CDK8MAPK12HCK
SCHEMBL1600345 0.81 MAPK14 (0.53) MAPK14MAPK9CDK8MAPK12HCK
SCHEMBL1599235 0.80 MAPK14 (0.68) MAPK14MAPK12HCKSRCGSK3B
SCHEMBL1599366 0.79 MAPK14 (0.48) MAPK14RAF1EGFRBRAFFLT3
SCHEMBL1599505 0.77 MAPK14 (0.88) MAPK14MAPK9CDK8MAPK12HCK
SCHEMBL1599053 0.77 MAPK14 (0.57) MAPK14MAPK9CDK8MAPK12SRC

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 15 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
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
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 371/4885MAPK9 623/4885CDK8 2319/4885
US-20100093734-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A MAPK14 371/4885MAPK9 623/4885CDK8 2319/4885
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF TNF, IL1A, IL1B MAPK14 696/4885MAPK9 2576/4885CDK8 988/4885
US-20100093735-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A MAPK14 371/4885MAPK9 623/4885CDK8 2319/4885

“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.