SCHEMBL7877672

SCHEMBL7877672

Cn1cc(C#Cc2cccc(Br)c2)cn1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.48
HAO1 Q9UJM8 2/20 0.46
ACACB O00763 1/20 0.39
AXL P30530 2/20 0.38
KCNH2 Q12809 2/20 0.36
FGFR3 P22607 1/20 0.35
KDR P35968 1/20 0.35
KIT P10721 1/20 0.34
DDR1 Q08345 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
ALPL P05186 1/20 0.33

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
SCHEMBL31536350 0.81 HAO1 (0.46) GRM5HAO1ACACBAXLFGFR3
SCHEMBL7887173 0.80 GRM5 (0.45) GRM5HAO1ACACBKCNH2KIT
SCHEMBL9430361 0.79 APP (0.48) GRM5HAO1ACACB
SCHEMBL18664061 0.78 ACACB (0.46) GRM5HAO1ACACBFGFR3KDR
SCHEMBL29779956 0.76 GRM5 (0.53) GRM5KCNH2ALDH1A1MAPK1
SCHEMBL1375869 0.76 GRM5 (0.53) GRM5KCNH2ALDH1A1MAPK1
SCHEMBL3580079 0.74 GRM5 (0.42) GRM5KCNH2FGFR3KDRALDH1A1
SCHEMBL8376983 0.71 KCNH2 (0.58) AXLKCNH2
SCHEMBL29971615 0.71 KCNH2 (0.58) AXLKCNH2
SCHEMBL7882938 0.71 GRM5 (0.38) GRM5KCNH2KITDDR1

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 6 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-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-7417047-B2 Amino-5-(5-membered)hetero-arylimidazolone compounds and the use thereof for β-secretase modulation WYETH (US) 2008-08-26 US 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

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 GRM5 128/4885HAO1 3856/4885ACACB 567/4885
US-20080306091-A1 AMINO-5-(5-MEMBERED)HETERO-ARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR beta-SECRETASE MODULATION BACE1, BACE2, APP GRM5 128/4885HAO1 3856/4885ACACB 567/4885
US-20100168106-A1 Amino-5-(5-membered)heteroarylimidazolone Compounds And The Use Thereof For Beta-secretase Modulation BACE1, BACE2, APP GRM5 101/4885HAO1 4005/4885ACACB 490/4885

“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.