SCHEMBL4097260

SCHEMBL4097260

COc1cc(Nc2nccc(-c3ccc(Cl)c(Cl)c3)n2)ccc1-n1cnc(C)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.56
PIK3CB P42338 3/20 0.56
PIK3CG P48736 3/20 0.56
PSEN1 P49768 17/20 0.56
PSEN2 P49810 17/20 0.56
APH1B Q8WW43 17/20 0.56
NCSTN Q92542 17/20 0.56
APH1A Q96BI3 17/20 0.56
PSENEN Q9NZ42 17/20 0.56
JAK2 O60674 1/20 0.49
EGFR P00533 1/20 0.49
CDK2 P24941 1/20 0.49
PTK2B Q14289 1/20 0.49

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
SCHEMBL4092396 0.94 PSEN1 (0.51) PIK3CAPIK3CBPIK3CGPSEN1PSEN2
SCHEMBL4110583 0.91 PIK3CA (0.61) PIK3CAPIK3CBPIK3CGPSEN1PSEN2
SCHEMBL4098368 0.87 PSEN1 (0.52) PIK3CAPIK3CBPIK3CGPSEN1PSEN2
SCHEMBL4098620 0.87 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4090988 0.85 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4098611 0.84 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4096580 0.84 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4090661 0.84 PIK3CA (0.57) PIK3CAPIK3CBPIK3CGPSEN1PSEN2
SCHEMBL4109686 0.84 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4099535 0.84 PSEN1 (0.54) 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 12 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
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 PIK3CA 3703/4885PIK3CB 2015/4885PIK3CG 1903/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB PIK3CA 3786/4885PIK3CB 2078/4885PIK3CG 1978/4885

“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.