SCHEMBL5201673

SCHEMBL5201673

COc1cc2[nH]c(N3CCC(Cc4ccccc4)CC3)cc2cc1C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.59
KMT2A Q03164 9/20 0.59
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPK14 Q16539 1/20 0.49
NPC1 O15118 1/20 0.48
GPR84 Q9NQS5 1/20 0.48
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
ACHE P22303 1/20 0.45
BACE1 P56817 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL5372928 0.91 MAPK14 (0.48) MEN1KMT2ACYP2C9CYP2C19MAPK14
SCHEMBL5374207 0.86 GPR84 (0.52) MEN1KMT2ACYP2C9CYP2C19MAPK14
SCHEMBL5387265 0.84 GPR84 (0.52) MEN1KMT2ACYP2C9CYP2C19MAPK14
SCHEMBL5374164 0.83 MEN1 (0.55) MEN1KMT2ACYP2C9CYP2C19MAPK14
SCHEMBL5365951 0.83 MEN1 (0.52) MEN1KMT2ACYP2C9CYP2C19MAPK14
SCHEMBL7375682 0.82 MEN1 (0.50) MEN1KMT2ACYP2C9NPC1ACHE
SCHEMBL5201970 0.82 NR3C1 (0.41) MEN1KMT2AMAPK14ACHEBACE1
SCHEMBL5374168 0.81 MEN1 (0.55) MEN1KMT2ACYP2C9CYP2C19MAPK14
SCHEMBL5733660 0.80 GAA (0.54) MEN1KMT2ACYP2C9CYP2C19NPC1
SCHEMBL5203581 0.80 GAA (0.54) MEN1KMT2ACYP2C9CYP2C19GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189739-B2 Compounds and methods to treat cardiac failure and other disorders SCIOS, INC. (US) 2007-03-13 US claimed
EP-1080078-B1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC (US) 2006-02-01 EP claimed
EP-1080078-A1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC. (US) 2001-03-07 EP 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-6867209-B1 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2005-03-15 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
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
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
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 (3 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 2753/4885CYP2C9 856/4885
US-20030144520-A1 Indole-type derivatives as inhibitors of p38 kinase CNKSR1, MAPK1, CSNK1A1 MEN1 3998/4885KMT2A 2356/4885CYP2C9 765/4885
US-20030158417-A1 Benzofuran derivatives as inhibitors of p38-alpha kinase CNKSR1, CSNK2A1, CSNK1A1 MEN1 4593/4885KMT2A 3476/4885CYP2C9 1306/4885

“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.