SCHEMBL924533

SCHEMBL924533

CC(C)n1cc(C(=O)O)cc(-c2ccncc2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.43
NFATC1 O95644 1/20 0.43
DYRK1A Q13627 1/20 0.43
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
HCAR3 P49019 1/20 0.39
MAPK14 Q16539 2/20 0.36
GCGR P47871 1/20 0.36
KDR P35968 2/20 0.36
LCK P06239 1/20 0.36
TEK Q02763 1/20 0.36
PTPN11 Q06124 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
AURKB Q96GD4 2/20 0.35
AURKA O14965 1/20 0.35

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
SCHEMBL924375 0.85 MAPK10 (0.46) GSK3BNFATC1DYRK1AGABRA1GABRG2
SCHEMBL2262203 0.83 BCL2L1 (0.44) HCAR3MAPK14GCGRKDRLCK
SCHEMBL2260977 0.69 PTGS1 (0.45) MAPK14GCGRMAP3K5MAPK1
SCHEMBL3159104 0.69 HCAR3 (0.49) HCAR3KDRLCKTEK
SCHEMBL11925120 0.68 AURKB (0.65) GSK3BNFATC1DYRK1AMAPK14AURKB
SCHEMBL27577754 0.67 HCAR3 (0.42) HCAR3
SCHEMBL26625898 0.66 NAPRT (0.50) NAPRTMAPK14GCGRROCK2
SCHEMBL23113305 0.66 BRD4 (0.40) KDRLCKTEKMAPK1
SCHEMBL17112959 0.66 NAPRT (0.65) NAPRTHCAR3CCNCCDK8
SCHEMBL22608827 0.65 HCAR3 (0.41) HCAR3

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 GSK3B 34/4885NFATC1 3556/4885DYRK1A 3935/4885
US-20070185103-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP GSK3B 34/4885NFATC1 3556/4885DYRK1A 3935/4885

“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.