SCHEMBL3580838

SCHEMBL3580838

C#Cc1cccc(-c2cccnc2F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.48
MAPT P10636 2/20 0.41
CLK4 Q9HAZ1 2/20 0.40
MAP4K4 O95819 2/20 0.39
CYP11B1 P15538 1/20 0.39
CTSD P07339 6/20 0.38
BACE1 P56817 6/20 0.38
BACE2 Q9Y5Z0 4/20 0.38
GSK3B P49841 2/20 0.37
CSNK1A1 P48729 1/20 0.37
CSNK1D P48730 1/20 0.37
CSNK1G2 P78368 1/20 0.37
CDC7 O00311 1/20 0.36
ROCK2 O75116 1/20 0.36
PIM1 P11309 1/20 0.36
PRKACA P17612 1/20 0.36
CDK2 P24941 1/20 0.36
HIPK2 Q9H2X6 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
DHODH Q02127 1/20 0.36

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
SCHEMBL6509937 0.82 CLK4 (0.41) CLK4MAP4K4CYP2C19PRMT5WDR77
SCHEMBL3581826 0.79 CYP11B2 (0.44) CYP11B2MAPTCLK4CTSDBACE1
SCHEMBL15723881 0.78 CLK4 (0.38) CLK4MAP4K4
SCHEMBL11364558 0.76 GABRA5 (0.44) MAP4K4BACE1
SCHEMBL4396963 0.75 CLK4 (0.67) CLK4CYP2C19
SCHEMBL26785258 0.75 MAP4K4 (0.69) CYP11B2MAPTMAP4K4CTSDBACE1
SCHEMBL3875933 0.75 CYP11B2 (0.55) CYP11B2MAPTMAP4K4CYP11B1BACE1
SCHEMBL17165427 0.74 HDAC8 (0.39) CLK4
SCHEMBL3800244 0.73 CYP2A6 (0.41) BACE1
SCHEMBL3876408 0.73 DHODH (0.50) CYP11B2MAPTCYP11B1DHODH

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168106-A1 Amino-5-(5-membered)heteroarylimidazolone Compounds And The Use Thereof For Beta-secretase Modulation WYETH LLC (US) 2010-07-01 US disclosed
US-20100168106-A1 Amino-5-(5-membered)heteroarylimidazolone Compounds And The Use Thereof For Beta-secretase Modulation WYETH LLC (US) 2010-07-01 US disclosed
US-20100168106-A1 Amino-5-(5-membered)heteroarylimidazolone Compounds And The Use Thereof For Beta-secretase Modulation WYETH LLC (US) 2010-07-01 US disclosed
US-7705030-B2 Amino-5-(5-membered)hetero-arylimidazolone compounds and the use thereof for β-secretase modulation WYETH LLC (US) 2010-04-27 US disclosed
US-7705030-B2 Amino-5-(5-membered)hetero-arylimidazolone compounds and the use thereof for β-secretase modulation WYETH LLC (US) 2010-04-27 US disclosed
US-7705030-B2 Amino-5-(5-membered)hetero-arylimidazolone compounds and the use thereof for β-secretase modulation WYETH LLC (US) 2010-04-27 US disclosed
US-20080306091-A1 AMINO-5-(5-MEMBERED)HETERO-ARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR beta-SECRETASE MODULATION WYETH (US) 2008-12-11 US disclosed
US-20080306091-A1 AMINO-5-(5-MEMBERED)HETERO-ARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR beta-SECRETASE MODULATION WYETH (US) 2008-12-11 US disclosed
US-20080306091-A1 AMINO-5-(5-MEMBERED)HETERO-ARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR beta-SECRETASE MODULATION WYETH (US) 2008-12-11 US disclosed
US-7417047-B2 Amino-5-(5-membered)hetero-arylimidazolone compounds and the use thereof for β-secretase modulation WYETH (US) 2008-08-26 US disclosed
US-7417047-B2 Amino-5-(5-membered)hetero-arylimidazolone compounds and the use thereof for β-secretase modulation WYETH (US) 2008-08-26 US disclosed
US-7417047-B2 Amino-5-(5-membered)hetero-arylimidazolone compounds and the use thereof for β-secretase modulation WYETH (US) 2008-08-26 US disclosed
EP-1896454-A1 AMlNO-5-(5-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR -SECRETASE MODULATION Wyeth a Corporation of the State of Delaware (US) 2008-03-12 EP disclosed
WO-2007005366-A1 AMlNO-5-(5-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR β-SECRETASE MODULATION WYETH (US) 2007-01-11 WO disclosed
WO-2007005366-A1 AMlNO-5-(5-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR β-SECRETASE MODULATION WYETH (US) 2007-01-11 WO disclosed
US-20070004786-A1 Amino-5-(5-membered)hetero-arylimidazolone compounds and the use thereof for beta-secretase modulation WYETH (US) 2007-01-04 US disclosed
US-20070004786-A1 Amino-5-(5-membered)hetero-arylimidazolone compounds and the use thereof for beta-secretase modulation WYETH (US) 2007-01-04 US disclosed
US-20070004786-A1 Amino-5-(5-membered)hetero-arylimidazolone compounds and the use thereof for beta-secretase modulation WYETH (US) 2007-01-04 US 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-20070004786-A1 Amino-5-(5-membered)hetero-arylimidazolone compounds and the use thereof for beta-secretase modulation BACE1, BACE2, APP CYP11B2 1830/4885MAPT 23/4885CLK4 2798/4885
US-20080306091-A1 AMINO-5-(5-MEMBERED)HETERO-ARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR beta-SECRETASE MODULATION BACE1, BACE2, APP CYP11B2 1830/4885MAPT 23/4885CLK4 2798/4885
US-20100168106-A1 Amino-5-(5-membered)heteroarylimidazolone Compounds And The Use Thereof For Beta-secretase Modulation BACE1, BACE2, APP CYP11B2 2310/4885MAPT 20/4885CLK4 3261/4885

“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.