SCHEMBL4499882

SCHEMBL4499882

CC1(C)CN(Cc2cccs2)CCN1C(=O)c1cc2cc[nH]c2cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.41
DRD4 P21917 5/20 0.37
DRD2 P14416 3/20 0.37
DRD3 P35462 3/20 0.37
DRD5 P21918 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
DRD1 P21728 1/20 0.37
NR4A2 P43354 2/20 0.34
ABCB1 P08183 1/20 0.34
ABCC1 P33527 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
FFAR2 O15552 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33

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
SCHEMBL4493295 0.84 MAPK14 (0.42) MAPK14NR4A2FFAR2PDE3BPDE3A
SCHEMBL4508982 0.80 MAPK14 (0.47) MAPK14DRD4DRD2DRD3DRD5
SCHEMBL4500410 0.80 POLB (0.39) MAPK14DRD4DRD2DRD3DRD5
SCHEMBL4501596 0.76 MAPK14 (0.39) MAPK14SMN1; SMN2HSD17B10
SCHEMBL4499885 0.75 MAPK14 (0.58) MAPK14NR4A2
SCHEMBL4503447 0.73 MAPK14 (0.38) MAPK14DRD4DRD2DRD3DRD5
SCHEMBL4509533 0.72 SMN1; SMN2 (0.34) DRD4DRD2DRD3DRD5SMN1; SMN2
SCHEMBL4502342 0.69 SMN1; SMN2 (0.32) DRD4DRD2DRD3DRD5SMN1; SMN2
SCHEMBL4494038 0.69 SMN1; SMN2 (0.51) DRD4DRD2DRD3DRD5SMN1; SMN2
SCHEMBL4513233 0.65 MAPK14 (0.38) MAPK14

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 7 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-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
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 28/4885DRD4 1221/4885DRD2 1026/4885
US-20070232617-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE MAPK1, MAPKAPK2, MAPKAPK5 MAPK14 38/4885DRD4 1561/4885DRD2 1265/4885

“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.