SCHEMBL513520

SCHEMBL513520

CNc1nc(Cl)nc2c1COCC2c1ccc(C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 9/20 0.34
LRRK2 Q5S007 1/20 0.32
GABBR2 O75899 1/20 0.31
GABBR1 Q9UBS5 1/20 0.31
RPS6KB1 P23443 1/20 0.31
ROCK1 Q13464 1/20 0.31
RPS6KA1 Q15418 1/20 0.31
EGFR P00533 1/20 0.31
KIF11 P52732 1/20 0.30

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
SCHEMBL512505 0.88 PDE2A (0.35) PDE2AGABBR2GABBR1
SCHEMBL512633 0.87 CYP3A4 (0.33)
SCHEMBL512510 0.87 YTHDC1 (0.31)
SCHEMBL511871 0.85 CHRNA7 (0.34) GABBR2GABBR1
SCHEMBL512196 0.84 YTHDC1 (0.30)
SCHEMBL512204 0.84 UGT1A1 (0.35) LRRK2
SCHEMBL511869 0.84 PDE2A (0.32) PDE2AEGFR
SCHEMBL512026 0.84 MDM2 (0.37)
SCHEMBL16330113 0.84 YTHDC1 (0.30)
SCHEMBL18559840 0.84 TRPV1 (0.35) PDE2A

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 35 patents — showing the first 20. 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-20150336975-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-26 US disclosed
US-20150336975-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-26 US disclosed
US-20150336975-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-26 US disclosed
EP-2459197-B1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2015-10-14 EP disclosed
EP-2459197-B1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2015-10-14 EP disclosed
US-20150152089-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2015-06-04 US disclosed
US-20150152089-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2015-06-04 US disclosed
US-20150152089-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2015-06-04 US disclosed
WO-2012103297-A1 COMPOUNDS FOR THE REDUCTION OF β-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-02 WO disclosed
WO-2012103297-A1 COMPOUNDS FOR THE REDUCTION OF β-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-02 WO disclosed
EP-2459197-A1 COMPOUNDS FOR THE REDUCTION OF -AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2012-06-06 EP 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
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-02-02 US disclosed
US-20110212937-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2011-09-01 US disclosed
US-20110212937-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2011-09-01 US disclosed
WO-2011014535-A1 COMPOUNDS FOR THE REDUCTION OF β-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-03 WO disclosed
WO-2011014535-A1 COMPOUNDS FOR THE REDUCTION OF β-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-03 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 (4 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-20110212937-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP PDE2A 852/4885LRRK2 1419/4885GABBR2 2354/4885
US-20150152089-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP PDE2A 852/4885LRRK2 1419/4885GABBR2 2354/4885
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP PDE2A 852/4885LRRK2 1419/4885GABBR2 2354/4885
US-20150336975-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP PDE2A 852/4885LRRK2 1419/4885GABBR2 2354/4885

“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.