SCHEMBL6167060

SCHEMBL6167060

O=C(Nc1ccc2c(CCc3ccncc3)c[nH]c2c1)c1cc(F)cc(N2CCOCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.62
MAPK13 O15264 1/20 0.51
MAPK12 P53778 1/20 0.51
MAPK11 Q15759 1/20 0.51
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
FLT1 P17948 1/20 0.46
KDR P35968 1/20 0.46
BRAF P15056 2/20 0.45
RAF1 P04049 1/20 0.45
ALDH1A1 P00352 1/20 0.43
SNCA P37840 1/20 0.42
DDR2 Q16832 1/20 0.42

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
SCHEMBL6167786 0.94 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL6167141 0.83 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL6168619 0.81 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL6354264 0.77 MAPK13 (0.57) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL6348042 0.76 MAPK14 (0.88) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL6348418 0.76 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL6165669 0.75 ESR1 (0.60) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL6166915 0.73 NPC1 (0.58) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL4419929 0.72 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL594573 0.71 DDR2 (0.75) MAPK14MAPK13MAPK12MAPK11BRAF

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124620-A1 Indole derivatives having an acidic moiety that inhibit or modulate activity of p38 map kinase mediating a disease state; e.g., 3-(2-(4-pyridyl)ethyl)-5-(3-trifluoromethoxybenzamido)indole; enzyme inhibitors; antiarthritic, -inflammatory, and -carcinogenic agents; respiratory disorders; AIDS; Alzheimer's FREDERICKSON MARTYN (GB) 2005-06-09 US claimed
US-20050124620-A1 Indole derivatives having an acidic moiety that inhibit or modulate activity of p38 map kinase mediating a disease state; e.g., 3-(2-(4-pyridyl)ethyl)-5-(3-trifluoromethoxybenzamido)indole; enzyme inhibitors; antiarthritic, -inflammatory, and -carcinogenic agents; respiratory disorders; AIDS; Alzheimer's FREDERICKSON MARTYN (GB) 2005-06-09 US disclosed
EP-1495016-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS MODULATORS OF P38 MAP KINASE Astex Technology Limited (GB) 2005-01-12 EP disclosed
WO-2003087087-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS MODULATORS OF P38 MAP KINASE ASTEX TECHNOLOGY LIMITED (GB) 2003-10-23 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 (1 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-20050124620-A1 Indole derivatives having an acidic moiety that inhibit or modulate activity of p38 map kinase mediating a disease state; e.g., 3-(2-(4-pyridyl)ethyl)-5-(3-trifluoromethoxybenzamido)indole; enzyme inhibitors; antiarthritic, -inflammatory, and -carcinogenic agents; respiratory disorders; AIDS; Alzheimer's MAPK1, IDO1, INMT MAPK14 17/4885MAPK13 36/4885MAPK12 54/4885

“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.