SCHEMBL4311731

SCHEMBL4311731

C(#Cc1cccc(-c2cnccn2)c1)c1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ASIC3 Q9UHC3 2/20 0.52
▸ PIM2 Q9P1W9 1/20 0.45
▸ BACE1 P56817 2/20 0.41
▸ BACE2 Q9Y5Z0 1/20 0.41
▸ GRM5 P41594 2/20 0.40
▸ DHFR P00374 1/20 0.38
▸ COMT P21964 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP19A1 P11511 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ PI4KA P42356 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ PI4KB Q9UBF8 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ GRK6 P43250 1/20 0.37
▸ PIM1 P11309 1/20 0.37

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
SCHEMBL8382341 0.78 PIM2 (0.50) PIM2BACE1BACE2GRM5DHFR
SCHEMBL21290740 0.77 PIM2 (0.55) PIM2BACE1BACE2DHFRCYP2D6
SCHEMBL4324850 0.76 ASIC3 (0.53) ASIC3GRM5COMTPIK3CDPIK3CA
SCHEMBL20625047 0.76 GRM5 (0.49) ASIC3BACE1BACE2GRM5COMT
SCHEMBL4410475 0.75 GRM5 (0.52) GRM5PIK3CDPIK3CAPIK3CGHAO1
SCHEMBL30772304 0.73 ASIC3 (0.67) ASIC3GRM5COMT
SCHEMBL29141519 0.73 ASIC3 (0.67) ASIC3GRM5COMT
SCHEMBL21322286 0.73 PIM2 (0.55) PIM2BACE1DHFRCYP19A1PIK3CD
SCHEMBL27519625 0.73 PIM2 (0.55) PIM2BACE1DHFRCYP19A1PIK3CD
SCHEMBL7921223 0.72 GRM5 (0.53) ASIC3GRM5

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 ASIC3 4086/4885PIM2 3194/4885BACE1 1/4885
US-20090042908-A1 AMINO-5-(6-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR BETA-SECRETASE MODULATION BACE1, BACE2, APP ASIC3 4086/4885PIM2 3194/4885BACE1 1/4885

“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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