SCHEMBL4098368

SCHEMBL4098368

COc1cc(Nc2nccc(-c3cc(Cl)ccc3Cl)n2)ccc1-n1cnc(C)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 18/20 0.52
PSEN2 P49810 18/20 0.52
APH1B Q8WW43 18/20 0.52
NCSTN Q92542 18/20 0.52
APH1A Q96BI3 18/20 0.52
PSENEN Q9NZ42 18/20 0.52
CYP3A4 P08684 1/20 0.49
PIK3CA P42336 2/20 0.48
PIK3CB P42338 2/20 0.48
PIK3CG P48736 2/20 0.48
JAK2 O60674 1/20 0.47
EGFR P00533 1/20 0.47
CDK2 P24941 1/20 0.47
PTK2B Q14289 1/20 0.47

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
SCHEMBL4090661 0.94 PIK3CA (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4090988 0.91 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4110583 0.89 PIK3CA (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4097260 0.87 PIK3CA (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4092396 0.86 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4098620 0.83 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1039079 0.83 PSEN1 (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8006680 0.81 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3412855 0.81 PSEN1 (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2359021 0.80 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A

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 claimed
EP-2257541-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2013-08-14 EP claimed
US-20130190302-A1 MODULATORS OF AMYLOID BETA HOFFMANN-LA ROCHE INC. (US) 2013-07-25 US claimed
US-20090215759-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2009-08-27 US claimed
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-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

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 PSEN1 2/4885PSEN2 7/4885APH1B 4/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB PSEN1 2/4885PSEN2 7/4885APH1B 4/4885

“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.