SCHEMBL5204083

SCHEMBL5204083

COc1ccccc1C(=O)c1cn(N2CCC(Cc3ccccc3)CC2)c2ccc(C(N)=O)cc12

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
MAPK14 Q16539 1/20 0.52
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
GAA P10253 1/20 0.44
F2 P00734 3/20 0.43
PRSS1 P07477 2/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL5374139 0.81 GAA (0.47) CYP2C9CYP2C19MAPK14MEN1KMT2A
SCHEMBL5204085 0.76 CYP2C9 (0.50) CYP2C9CYP2C19MAPK14MEN1KMT2A
SCHEMBL5377979 0.74 GAA (0.47) CYP2C9CYP2C19MAPK14MEN1KMT2A
SCHEMBL5367499 0.74 GAA (0.53) MEN1KMT2AGAAF2PRSS1
SCHEMBL5203573 0.72 F2 (0.57) MEN1KMT2AGAAF2
SCHEMBL5365947 0.72 MEN1 (0.48) CYP2C9CYP2C19MAPK14MEN1KMT2A
SCHEMBL5201672 0.72 MEN1 (0.57) CYP2C9CYP2C19MAPK14MEN1KMT2A
SCHEMBL5374160 0.71 MEN1 (0.56) CYP2C9CYP2C19MAPK14MEN1KMT2A
SCHEMBL5372863 0.71 F2 (0.59) MEN1KMT2AGAAF2
SCHEMBL5733657 0.70 GAA (0.55) MEN1KMT2AGAAF2

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 CYP2C9 856/4885CYP2C19 1001/4885MAPK14 100/4885
US-20030144520-A1 Indole-type derivatives as inhibitors of p38 kinase CNKSR1, MAPK1, CSNK1A1 CYP2C9 765/4885CYP2C19 744/4885MAPK14 72/4885
US-20030158417-A1 Benzofuran derivatives as inhibitors of p38-alpha kinase CNKSR1, CSNK2A1, CSNK1A1 CYP2C9 1306/4885CYP2C19 1323/4885MAPK14 96/4885
US-20030162970-A1 Indole-type derivatives as inhibitors of p38 kinase CNKSR1, MAPK1, CSNK1A1 CYP2C9 765/4885CYP2C19 744/4885MAPK14 72/4885
US-20030195355-A1 Indole-type derivatives as inhibitors of p38 kinase CNKSR1, MAPK1, CSNK1A1 CYP2C9 765/4885CYP2C19 744/4885MAPK14 72/4885

“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.