SCHEMBL4488261

SCHEMBL4488261

CCOc1cc2[nH]ccc2cc1C(=O)N1C[C@H](C)N(Cc2cccc(Cl)c2)C[C@H]1C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.71
CCR1 P32246 6/20 0.42
JAK2 O60674 3/20 0.39
JAK1 P23458 3/20 0.39
TYK2 P29597 3/20 0.39
JAK3 P52333 3/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
MCHR1 Q99705 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 1/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FAAH O00519 1/20 0.36

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
SCHEMBL4500652 0.92 MAPK14 (0.83) MAPK14CCR1KMT2APDK1PDK2
SCHEMBL4499967 0.88 MAPK14 (0.67) MAPK14CCR1JAK2JAK1TYK2
SCHEMBL4490923 0.87 MAPK14 (0.69) MAPK14CCR1
SCHEMBL4503897 0.85 MAPK14 (0.67) MAPK14CCR1PTGDR2KMT2AKDM4E
SCHEMBL4500833 0.81 MAPK14 (0.47) MAPK14CCR1PTGDR2SMN1; SMN2KMT2A
SCHEMBL14539784 0.81 MAPK14 (0.47) MAPK14CCR1JAK2JAK1TYK2
SCHEMBL13955059 0.81 MAPK14 (0.46) MAPK14CCR1PTGDR2SMN1; SMN2KMT2A
SCHEMBL13936140 0.80 MAPK14 (0.77) MAPK14CCR1PDK1PDK2PDK3
SCHEMBL4500146 0.80 MAPK14 (0.77) MAPK14CCR1PDK1PDK2PDK3
SCHEMBL4499704 0.80 MAPK14 (0.46) MAPK14CCR1PTGDR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7488744-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2009-02-10 US disclosed
US-7488744-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2009-02-10 US disclosed
US-7488744-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2009-02-10 US disclosed
US-20070232617-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS, INC. (US) 2007-10-04 US disclosed
US-20070232617-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS, INC. (US) 2007-10-04 US disclosed
US-20070232617-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS, INC. (US) 2007-10-04 US disclosed
US-7220763-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2007-05-22 US disclosed
US-7220763-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2007-05-22 US disclosed
US-7220763-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2007-05-22 US disclosed
EP-1545528-A4 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS INC (US) 2006-07-26 EP disclosed
EP-1545528-A2 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS INC. (US) 2005-06-29 EP disclosed
US-20040142940-A1 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. 2004-07-22 US disclosed
WO-2004022712-A2 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF p38 KINASE SCIOS INC. (US) 2004-03-18 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 (2 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-20040142940-A1 Indole-type derivatives as inhibitors of p38 kinase MAPK1, MAPKAPK2, MAPK4 MAPK14 28/4885CCR1 1486/4885JAK2 118/4885
US-20070232617-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE MAPK1, MAPKAPK2, MAPKAPK5 MAPK14 38/4885CCR1 1494/4885JAK2 199/4885

“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.