SCHEMBL4101452

SCHEMBL4101452

CCOC(=O)c1cnc(Nc2ccc(-n3cnc(C)c3)c(F)c2)nc1-c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 4/20 0.43
SIRT5 Q9NXA8 2/20 0.42
AXL P30530 2/20 0.42
PAK1 Q13153 2/20 0.42
NPC1 O15118 2/20 0.42
MAPT P10636 1/20 0.42
PSEN1 P49768 3/20 0.41
PSEN2 P49810 3/20 0.41
APH1B Q8WW43 3/20 0.41
NCSTN Q92542 3/20 0.41
APH1A Q96BI3 3/20 0.41
PSENEN Q9NZ42 3/20 0.41
SYK P43405 1/20 0.41
BRD4 O60885 1/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KCNH2 Q12809 1/20 0.38
GPR142 Q7Z601 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
SCHEMBL15124937 0.92 MAPT (0.42) P2RX3SIRT5AXLPAK1NPC1
SCHEMBL4099387 0.91 PSEN1 (0.43) AXLNPC1MAPTPSEN1PSEN2
SCHEMBL3407143 0.90 PSEN1 (0.51) PAK1PSEN1PSEN2APH1BNCSTN
SCHEMBL3412457 0.87 PSEN1 (0.51) PAK1PSEN1PSEN2APH1BNCSTN
SCHEMBL3412767 0.81 PSEN1 (0.53) PAK1PSEN1PSEN2APH1BNCSTN
SCHEMBL15162747 0.79 PSEN1 (0.53) PAK1PSEN1PSEN2APH1BNCSTN
SCHEMBL4101219 0.79 PAK1 (0.47) PAK1PSEN1PSEN2APH1BNCSTN
SCHEMBL4098606 0.76 PSEN1 (0.48) PAK1PSEN1PSEN2APH1BNCSTN
SCHEMBL3406361 0.75 PAK1 (0.50) PAK1PSEN1PSEN2APH1BNCSTN
SCHEMBL4110650 0.74 PSEN1 (0.44) NPC1PSEN1PSEN2APH1BNCSTN

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 9 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
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-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 P2RX3 3569/4885SIRT5 3765/4885AXL 4637/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB P2RX3 3610/4885SIRT5 3842/4885AXL 4653/4885

“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.