SCHEMBL4324850

SCHEMBL4324850

C(#Cc1cccc(-c2ccccc2)c1)c1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ASIC3 Q9UHC3 1/20 0.53
▸ NOTUM Q6P988 1/20 0.52
▸ GRM5 P41594 3/20 0.50
▸ APP P05067 1/20 0.46
▸ PIK3CD O00329 1/20 0.44
▸ PIK3CA P42336 1/20 0.44
▸ MTOR P42345 1/20 0.44
▸ PIK3CG P48736 1/20 0.44
▸ PDK1 Q15118 1/20 0.44
▸ COMT P21964 1/20 0.43
▸ PRKCI P41743 1/20 0.42
▸ KIF11 P52732 1/20 0.42
▸ HAO1 Q9UJM8 1/20 0.41
▸ KCNH2 Q12809 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
SCHEMBL7921223 0.84 GRM5 (0.53) ASIC3GRM5
SCHEMBL20625047 0.84 GRM5 (0.49) ASIC3GRM5PIK3CDPIK3CAMTOR
SCHEMBL4309708 0.84 CYP17A1 (0.53) ASIC3GRM5
SCHEMBL3797658 0.84 CYP1A1 (0.56) ASIC3GRM5APPCOMTKCNH2
SCHEMBL9928719 0.84 NOTUM (0.61) NOTUMGRM5APPPIK3CDPIK3CA
SCHEMBL9610050 0.84 APP (0.55) NOTUMGRM5APPPIK3CDPIK3CA
SCHEMBL4410475 0.83 GRM5 (0.52) GRM5APPPIK3CDPIK3CAMTOR
SCHEMBL2925968 0.83 APP (0.67) NOTUMGRM5APPPIK3CDPIK3CA
SCHEMBL4311440 0.81 GRM5 (0.51) ASIC3GRM5PIK3CAPDK1KCNH2
SCHEMBL16108938 0.81 CYP2A6 (0.54) ASIC3GRM5COMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042908-A1 AMINO-5-(6-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR BETA-SECRETASE MODULATION WYETH (US) 2009-02-12 — — US disclosed
US-20090042908-A1 AMINO-5-(6-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR BETA-SECRETASE MODULATION WYETH (US) 2009-02-12 — — US disclosed
US-7452885-B2 Amino-5-(6-membered)heteroarylimidazolone compounds and the use thereof for β-secretase modulation WYETH (US) 2008-11-18 — — US disclosed
US-7452885-B2 Amino-5-(6-membered)heteroarylimidazolone compounds and the use thereof for β-secretase modulation WYETH (US) 2008-11-18 — — US disclosed
EP-1896448-A1 AMINO-5-(6-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR ß-SECRETASE MODULATION Wyeth (US) 2008-03-12 — — EP disclosed
WO-2007005404-A1 AMINO-5-(6-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR ß-SECRETASE MODULATION WYETH (US) 2007-01-11 — — WO disclosed
WO-2007005404-A1 AMINO-5-(6-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR ß-SECRETASE MODULATION WYETH (US) 2007-01-11 — — WO disclosed
US-20070004730-A1 Amino-5-(6-membered)heteroarylimidazolone compounds and the use thereof for beta-secretase modulation WYETH (US) 2007-01-04 — — US disclosed
US-20070004730-A1 Amino-5-(6-membered)heteroarylimidazolone 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 (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-20070004730-A1 Amino-5-(6-membered)heteroarylimidazolone compounds and the use thereof for beta-secretase modulation BACE1, BACE2, APP ASIC3 4086/4885NOTUM 977/4885GRM5 196/4885
US-20090042908-A1 AMINO-5-(6-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR BETA-SECRETASE MODULATION BACE1, BACE2, APP ASIC3 4086/4885NOTUM 977/4885GRM5 196/4885

“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.

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