SCHEMBL4309708

SCHEMBL4309708

Fc1cccc(-c2cccc(C#Cc3ccncc3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP11B1 P15538 1/20 0.53
▸ CYP11B2 P19099 1/20 0.53
▸ TP53 P04637 1/20 0.45
▸ GABRG2 P18507 1/20 0.44
▸ GABRB3 P28472 1/20 0.44
▸ GABRA5 P31644 1/20 0.44
▸ GABRA3 P34903 1/20 0.44
▸ CA12 O43570 2/20 0.44
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ GRM5 P41594 7/20 0.43
▸ ASIC3 Q9UHC3 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ MAPK13 O15264 1/20 0.41
▸ RAF1 P04049 1/20 0.41
▸ MAPK12 P53778 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
SCHEMBL4324850 0.84 ASIC3 (0.53) GRM5ASIC3
SCHEMBL20625047 0.79 GRM5 (0.49) GRM5ASIC3
SCHEMBL7921223 0.79 GRM5 (0.53) GRM5ASIC3MAPK14
SCHEMBL9387800 0.79 CYP17A1 (0.70) CYP17A1CYP3A4CYP11B1CYP11B2TP53
SCHEMBL4410475 0.79 GRM5 (0.52) GRM5
SCHEMBL8385277 0.77 CYP17A1 (0.68) CYP17A1CYP3A4CYP11B1CYP11B2TP53
SCHEMBL31286312 0.74 CA12 (0.62) CA12CA1CA2CA9GRM5
SCHEMBL9302636 0.74 CA12 (0.62) CA12CA1CA2CA9GRM5
SCHEMBL717450 0.73 CA12 (0.59) CA12CA1CA2CA9GRM5
SCHEMBL4311731 0.72 ASIC3 (0.52) GRM5ASIC3

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 7 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
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 CYP17A1 883/4885CYP3A4 4496/4885CYP11B1 1665/4885
US-20090042908-A1 AMINO-5-(6-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR BETA-SECRETASE MODULATION BACE1, BACE2, APP CYP17A1 883/4885CYP3A4 4496/4885CYP11B1 1665/4885

“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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