SCHEMBL5203581

SCHEMBL5203581

NC(=O)c1ccc2[nH]c(N3CCC(Cc4ccccc4)CC3)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
GPR84 Q9NQS5 1/20 0.54
GRIN2B Q13224 2/20 0.52
GRIN2D O15399 1/20 0.52
GRIN3B O60391 1/20 0.52
GRIN1 Q05586 1/20 0.52
GRIN2A Q12879 1/20 0.52
GRIN2C Q14957 1/20 0.52
GRIN3A Q8TCU5 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ACHE P22303 1/20 0.48
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TNKS O95271 1/20 0.46
PARP1 P09874 1/20 0.46
PARP14 Q460N5 1/20 0.46

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
SCHEMBL5733660 0.91 GAA (0.54) GAAGPR84GRIN2BGRIN2DGRIN3B
SCHEMBL5374691 0.89 GAA (0.47) GAAGPR84GRIN2BGRIN2DGRIN3B
SCHEMBL5733310 0.89 GAA (0.44) GAAGPR84GRIN2BGRIN2DGRIN3B
SCHEMBL7376190 0.86 SCN9A (0.55) GAAGPR84GRIN2BGRIN2DGRIN3B
SCHEMBL5734927 0.85 CHEK1 (0.41) GAAGPR84GRIN2BGRIN2DGRIN3B
SCHEMBL5735093 0.85 HDAC6 (0.49) GAAGPR84GRIN2BGRIN2DGRIN3B
SCHEMBL7373279 0.85 SLC6A2 (0.51) GPR84GRIN2BGRIN2DGRIN3BGRIN1
SCHEMBL5369714 0.84 GPR84 (0.48) GAAGPR84GRIN2BGRIN2DGRIN3B
SCHEMBL5374221 0.84 GAA (0.46) GAAGRIN2BGRIN2DGRIN3BGRIN1
SCHEMBL5732647 0.84 GAA (0.48) GAAGRIN2BGRIN2DGRIN3BGRIN1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1080078-B1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC (US) 2006-02-01 EP claimed
US-20030073699-A1 Compounds and methods to treat cardiac failure and other disorders SCIOS, INC. 2003-04-17 US claimed
EP-1080078-A1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC. (US) 2001-03-07 EP claimed
US-6130235-A PIPERIDINE MOIETIES COUPLED TO INDOLE, BENZIMIDAZOLE OR BENZOTRIAZOLE. SCIOS INC. (US) 2000-10-10 US claimed
WO-1999061426-A1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC. (US) 1999-12-02 WO claimed
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-7189739-B2 Compounds and methods to treat cardiac failure and other disorders SCIOS, INC. (US) 2007-03-13 US disclosed
EP-1080078-B1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC (US) 2006-02-01 EP disclosed
US-6589954-B1 Indoles, benzimidazoles and benztriazoles which are substituted at the 5 or 6 position with a substituent comprising an aromatic moiety linked through a piperazine ring to said indole, benzimidazole or benztriazole are useful SCIOS, INC. 2003-07-08 US disclosed
US-20030073699-A1 Compounds and methods to treat cardiac failure and other disorders SCIOS, INC. 2003-04-17 US disclosed
EP-1178983-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE Scios Inc. (US) 2002-02-13 EP disclosed
US-6340685-B1 ANTIINFLAMMATORY AGENTS SCIOS, INC. 2002-01-22 US disclosed
EP-1080078-A1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC. (US) 2001-03-07 EP disclosed
WO-2000071535-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF p38 KINASE SCIOS INC. (US) 2000-11-30 WO disclosed
US-6130235-A PIPERIDINE MOIETIES COUPLED TO INDOLE, BENZIMIDAZOLE OR BENZOTRIAZOLE. SCIOS INC. (US) 2000-10-10 US disclosed
WO-1999061426-A1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC. (US) 1999-12-02 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-20070161649-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF p38 KINASE GRK6, CSNK2A2, CSNK2A1 GAA 4859/4885GPR84 1620/4885GRIN2B 768/4885
US-20030073699-A1 Compounds and methods to treat cardiac failure and other disorders RCOR1, NR3C2, CNR1 GAA 4362/4885GPR84 818/4885GRIN2B 2075/4885

“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.