SCHEMBL512229

SCHEMBL512229

CNc1nc(Cl)nc2c1CCC2c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 10/20 0.36
CYP11B2 P19099 10/20 0.36
LRRK2 Q5S007 1/20 0.34
GABBR2 O75899 2/20 0.34
GABBR1 Q9UBS5 2/20 0.34
PDE2A O00408 1/20 0.33
APP P05067 1/20 0.32

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
SCHEMBL512966 0.86 UGT1A1 (0.33) CYP11B1CYP11B2
SCHEMBL512039 0.86 CYP3A4 (0.36)
SCHEMBL512932 0.85 CYP11B1 (0.40) CYP11B1CYP11B2PDE2AAPP
SCHEMBL513197 0.84 GRM2 (0.33) PDE2A
SCHEMBL15445110 0.83 UGT1A1 (0.31)
SCHEMBL513429 0.82 UGT1A1 (0.35)
SCHEMBL15685520 0.80 UGT1A1 (0.33)
SCHEMBL512355 0.76 CYP3A4 (0.38)
SCHEMBL512452 0.76 UGT1A1 (0.36)
SCHEMBL513668 0.76 CYP3A4 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2668168-B1 COMPOUNDS FOR THE REDUCTION OF ß-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2017-03-01 EP disclosed
EP-2668168-B1 COMPOUNDS FOR THE REDUCTION OF ß-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2017-03-01 EP disclosed
US-8710061-B2 Compounds for the reduction of β-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-29 US disclosed
US-8710061-B2 Compounds for the reduction of β-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-29 US disclosed
US-8637525-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-28 US disclosed
US-8637525-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-28 US disclosed
US-20130030011-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2013-01-31 US disclosed
US-20130030011-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2013-01-31 US disclosed
WO-2012103297-A1 COMPOUNDS FOR THE REDUCTION OF β-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-02 WO disclosed
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-02-02 US disclosed
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-02-02 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-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP CYP11B1 220/4885CYP11B2 200/4885LRRK2 1419/4885
US-20130030011-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP CYP11B1 220/4885CYP11B2 200/4885LRRK2 1419/4885

“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.