SCHEMBL511891

SCHEMBL511891

[2H]C([2H])([2H])Nc1nc(Cl)nc2c1CCC2c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT1A1 P22309 2/20 0.42
KCNH2 Q12809 2/20 0.42
SLCO1B1 Q9Y6L6 2/20 0.42
HCAR2 Q8TDS4 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
PDGFRA P16234 1/20 0.31
PRKACA P17612 1/20 0.31
KDR P35968 1/20 0.31
CDK8 P49336 1/20 0.31
CDK9 P50750 1/20 0.31
ROCK1 Q13464 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
HTR2B P41595 2/20 0.31
HTR1A P08908 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR6 P50406 1/20 0.31
PSEN1 P49768 3/20 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
SCHEMBL512175 0.91 UGT1A1 (0.48) UGT1A1KCNH2SLCO1B1HCAR2HRH4
SCHEMBL513773 0.88 CYP3A4 (0.40) UGT1A1KCNH2SLCO1B1PSEN1PSEN2
SCHEMBL513458 0.83 ACP1 (0.40) UGT1A1KCNH2SLCO1B1HCAR2HRH4
SCHEMBL511428 0.82 HTR2B (0.40) UGT1A1KCNH2SLCO1B1HCAR2HRH4
SCHEMBL511534 0.81 ACP1 (0.39) UGT1A1KCNH2SLCO1B1HRH4HRH3
SCHEMBL511793 0.80 UGT1A1 (0.39) UGT1A1KCNH2SLCO1B1HRH3CDK8
SCHEMBL12685613 0.78 UGT1A1 (0.38) UGT1A1KCNH2SLCO1B1KDRHTR2B
SCHEMBL511864 0.78 CYP3A4 (0.46) UGT1A1KCNH2SLCO1B1PSEN1PSEN2
SCHEMBL30095669 0.78 HCAR2 (0.38) UGT1A1KCNH2SLCO1B1HCAR2HRH4
SCHEMBL362065 0.78 HCAR2 (0.38) UGT1A1KCNH2SLCO1B1HCAR2HRH4

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
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
US-20150152089-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2015-06-04 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-8486952-B2 Compounds for the reduction of β-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-16 US disclosed
US-20130178462-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-11 US disclosed
US-20130030011-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2013-01-31 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 UGT1A1 3409/4885KCNH2 4707/4885SLCO1B1 3830/4885
US-20150152089-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP UGT1A1 3409/4885KCNH2 4707/4885SLCO1B1 3830/4885
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP UGT1A1 3409/4885KCNH2 4707/4885SLCO1B1 3830/4885
US-20130178462-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP UGT1A1 3409/4885KCNH2 4707/4885SLCO1B1 3830/4885
US-20150336975-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP UGT1A1 3409/4885KCNH2 4707/4885SLCO1B1 3830/4885
US-20130030011-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP UGT1A1 3409/4885KCNH2 4707/4885SLCO1B1 3830/4885

“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.