SCHEMBL3408049

SCHEMBL3408049

Cc1nc(C)c(-c2ccc(Nc3nc(-c4ccc(C(F)(F)F)cc4)cc(C(C)(C)O)n3)cc2)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.46
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
SYK P43405 2/20 0.38
CDK2 P24941 1/20 0.38
MCHR1 Q99705 1/20 0.38
TRPV1 Q8NER1 4/20 0.37
ACP1 P24666 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
EGFR P00533 1/20 0.35
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35
TLR8 Q9NR97 1/20 0.35
KCNH3 Q9ULD8 1/20 0.35
IKBKB O14920 1/20 0.35
CHUK O15111 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
SCHEMBL3412138 0.83 PTGS2 (0.45) PTGS2PSEN1PSEN2APH1BNCSTN
SCHEMBL3408817 0.78 PTGS2 (0.46) PTGS2PSEN1PSEN2APH1BNCSTN
SCHEMBL8192595 0.75 LMNA (0.43) PTGS2TRPV1TRPM8
SCHEMBL3406069 0.72 PTGS2 (0.40) PTGS2PSEN1PSEN2APH1BNCSTN
SCHEMBL3408075 0.72 PSEN1 (0.47) PTGS2PSEN1PSEN2APH1BNCSTN
SCHEMBL4092365 0.71 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3412245 0.71 PSEN1 (0.54) PTGS2PSEN1PSEN2APH1BNCSTN
SCHEMBL3412354 0.71 PTGS2 (0.39) PTGS2PSEN1PSEN2APH1BNCSTN
SCHEMBL3408136 0.70 PSEN1 (0.41) PTGS2PSEN1PSEN2APH1BNCSTN
SCHEMBL3407309 0.69 PSEN1 (0.49) PTGS2PSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962834-B2 Modulators of amyloid beta HOFFMANN-LA ROCHE INC. (US) 2015-02-24 US disclosed
US-8962834-B2 Modulators of amyloid beta HOFFMANN-LA ROCHE INC. (US) 2015-02-24 US disclosed
US-8962834-B2 Modulators of amyloid beta HOFFMANN-LA ROCHE INC. (US) 2015-02-24 US disclosed
EP-2257541-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2013-08-14 EP disclosed
EP-2257541-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2013-08-14 EP disclosed
US-20130190302-A1 MODULATORS OF AMYLOID BETA HOFFMANN-LA ROCHE INC. (US) 2013-07-25 US disclosed
US-20130190302-A1 MODULATORS OF AMYLOID BETA HOFFMANN-LA ROCHE INC. (US) 2013-07-25 US disclosed
US-20130190302-A1 MODULATORS OF AMYLOID BETA HOFFMANN-LA ROCHE INC. (US) 2013-07-25 US disclosed
EP-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 EP disclosed
US-20090215759-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2009-08-27 US disclosed
US-20090215759-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2009-08-27 US disclosed
US-20090215759-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2009-08-27 US disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO 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-20090215759-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, APOB PTGS2 310/4885PSEN1 2/4885PSEN2 7/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB PTGS2 318/4885PSEN1 2/4885PSEN2 7/4885

“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.