SCHEMBL5204055

SCHEMBL5204055

NC(=O)c1[nH]c2ccc(N3CCC(Cc4ccccc4)CC3)cc2c1C(=O)CCl

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
GRIN2B Q13224 3/20 0.42
GRIN2D O15399 2/20 0.42
GRIN3B O60391 2/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2A Q12879 2/20 0.42
GRIN2C Q14957 2/20 0.42
GRIN3A Q8TCU5 2/20 0.42
MAP2K7 O14733 1/20 0.42
ALK Q9UM73 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
BRCA1 P38398 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL5201629 0.91 MEN1 (0.43) MEN1KMT2AGAAGRIN2BGRIN2D
SCHEMBL5204340 0.89 MEN1 (0.46) MEN1KMT2AGAAGRIN2BGRIN2D
SCHEMBL5204359 0.76 SLC6A4 (0.63) GRIN2B
SCHEMBL7078851 0.75 MEN1 (0.52) MEN1KMT2AGAAGRIN2BGRIN2D
SCHEMBL5204351 0.75 SLC6A2 (0.63) MEN1KMT2AGRIN2BGRIN2DGRIN3B
SCHEMBL7071502 0.73 GRIN2B (0.60) GRIN2B
SCHEMBL6429862 0.71 GAA (0.60) GAABRCA1MAPTHTT
SCHEMBL6428994 0.71 GAA (0.70) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL5377860 0.71 GRIN2D (0.52) MEN1KMT2AGAAGRIN2BGRIN2D
SCHEMBL5383885 0.71 GPR84 (0.51) MEN1KMT2AGAAGRIN2BGRIN2D

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-7304048-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2007-12-04 US disclosed
EP-1178983-B1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS INC (US) 2007-10-24 EP disclosed
US-20070161649-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF p38 KINASE SCIOS INC. 2007-07-12 US disclosed
US-7238712-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2007-07-03 US disclosed
US-7189726-B2 Benzofuran derivatives as inhibitors of p38-α kinase SCIOS, INC. (US) 2007-03-13 US disclosed
US-6867209-B1 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2005-03-15 US disclosed
US-6864260-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2005-03-08 US disclosed
US-20030195355-A1 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. 2003-10-16 US disclosed
US-20030162970-A1 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. 2003-08-28 US disclosed
US-20030158417-A1 Benzofuran derivatives as inhibitors of p38-alpha kinase SCIOS, INC. 2003-08-21 US disclosed
US-20030144520-A1 Indole-type derivatives as inhibitors of p38 kinase MAVUNKEL BABU J (US) 2003-07-31 US disclosed
EP-1178983-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE Scios Inc. (US) 2002-02-13 EP disclosed
WO-2000071535-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF p38 KINASE SCIOS INC. (US) 2000-11-30 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 (5 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-20070161649-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF p38 KINASE GRK6, CSNK2A2, CSNK2A1 MEN1 3286/4885KMT2A 2753/4885GAA 4859/4885
US-20030144520-A1 Indole-type derivatives as inhibitors of p38 kinase CNKSR1, MAPK1, CSNK1A1 MEN1 3998/4885KMT2A 2356/4885GAA 4792/4885
US-20030158417-A1 Benzofuran derivatives as inhibitors of p38-alpha kinase CNKSR1, CSNK2A1, CSNK1A1 MEN1 4593/4885KMT2A 3476/4885GAA 4397/4885
US-20030162970-A1 Indole-type derivatives as inhibitors of p38 kinase CNKSR1, MAPK1, CSNK1A1 MEN1 3998/4885KMT2A 2356/4885GAA 4792/4885
US-20030195355-A1 Indole-type derivatives as inhibitors of p38 kinase CNKSR1, MAPK1, CSNK1A1 MEN1 3998/4885KMT2A 2356/4885GAA 4792/4885

“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.