SCHEMBL924375

SCHEMBL924375

COC(=O)c1cc(-c2ccncc2)c(=O)n(C(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.46
USP2 O75604 1/20 0.46
CYP46A1 Q9Y6A2 1/20 0.45
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
DYRK1A Q13627 2/20 0.42
ROCK2 O75116 1/20 0.41
NEK1 Q96PY6 1/20 0.40
NFATC1 O95644 1/20 0.40
GSK3B P49841 1/20 0.40
NR4A2 P43354 1/20 0.40
POLB P06746 2/20 0.39
TSHR P16473 2/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAP3K5 Q99683 1/20 0.38

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
SCHEMBL924533 0.85 GSK3B (0.43) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2260977 0.85 PTGS1 (0.45) GAAALDH1A1MAP3K5NPC1RAB9A
SCHEMBL2261224 0.74 PTGS1 (0.43) GAAALDH1A1NPC1RAB9AKMT2A
SCHEMBL2260734 0.73 PTGS1 (0.42) GAAALDH1A1NPC1LMNARAB9A
SCHEMBL926768 0.73 NEK1 (0.51) CYP46A1GABRA1GABRG2GABRB3GABRA5
SCHEMBL12890137 0.71 LMNA (0.48) TSHRGAAALDH1A1LMNASMN1; SMN2
SCHEMBL1980880 0.70 ALDH1A1 (0.55) POLBGAAALDH1A1LMNASMN1; SMN2
SCHEMBL15535251 0.68 MAPT (0.44) MAPK10USP2POLBTSHRGAA
SCHEMBL9332838 0.68 SLC2A1 (0.61) CYP46A1DYRK1AROCK2NEK1GSK3B
SCHEMBL17503522 0.68 CYP46A1 (0.51) CYP46A1NEK1NR4A2POLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163766-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2012-04-24 US disclosed
US-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-19 US disclosed
US-7872009-B2 Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-01-18 US disclosed
US-20070185103-A1 Beta-secretase modulators and methods of use AMGEN INC. 2007-08-09 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-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP MAPK10 4465/4885USP2 2521/4885CYP46A1 279/4885
US-20070185103-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP MAPK10 4465/4885USP2 2521/4885CYP46A1 279/4885

“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.