SCHEMBL511504

SCHEMBL511504

COc1cc(N)ccc1-n1cnc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.49
PSEN1 P49768 14/20 0.42
PSEN2 P49810 14/20 0.42
APH1B Q8WW43 14/20 0.42
NCSTN Q92542 14/20 0.42
APH1A Q96BI3 14/20 0.42
PSENEN Q9NZ42 14/20 0.42
KCNH2 Q12809 2/20 0.41
UGT1A1 P22309 1/20 0.41
SLCO1B1 Q9Y6L6 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
APP P05067 1/20 0.39

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
SCHEMBL15062288 0.84 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16402393 0.84 NR4A1 (0.50) NR4A1PSEN1PSEN2APH1BNCSTN
SCHEMBL511511 0.84 NR4A1 (0.54) NR4A1PSEN1PSEN2APH1BNCSTN
SCHEMBL1037346 0.82 NR4A1 (0.49) NR4A1PSEN1PSEN2APH1BNCSTN
SCHEMBL21195190 0.82 NR4A1 (0.49) NR4A1PSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL16402312 0.82 NR4A1 (0.53) NR4A1PSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL2480936 0.82 NR4A1 (0.53) NR4A1PSEN1PSEN2APH1BNCSTN
SCHEMBL20047851 0.82 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL361336 0.81 TSHR (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20085560 0.80 PSEN1 (0.43) 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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109476670-B Bicyclic heteroaryl derivatives 豪夫迈·罗氏有限公司 2022-06-28 CN disclosed
CN-109311878-B Triazolopyridines as gamma-secretase modulators 豪夫迈·罗氏有限公司 2022-05-24 CN disclosed
CN-109415369-B Fused pyrimidine derivatives 豪夫迈·罗氏有限公司 2021-12-07 CN disclosed
EP-3475279-B1 TRIAZOLOPYRIDINES AS GAMMA-SECRETASE MODULATORS HOFFMANN LA ROCHE (CH) 2021-07-14 EP disclosed
EP-3475279-B1 TRIAZOLOPYRIDINES AS GAMMA-SECRETASE MODULATORS HOFFMANN LA ROCHE (CH) 2021-07-14 EP disclosed
EP-3481829-B1 FUSED PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-04-07 EP disclosed
EP-3523304-B1 BICYCLIC HETEROARYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-01-27 EP disclosed
US-10875854-B2 Triazolopyridines HOFFMANN-LA ROCHE INC. (US) 2020-12-29 US disclosed
US-10875854-B2 Triazolopyridines HOFFMANN-LA ROCHE INC. (US) 2020-12-29 US disclosed
US-10869934-B2 Antiproliferative compounds and conjugates made therefrom BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-22 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
EP-2379553-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2011-10-26 EP 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
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
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 US disclosed
WO-2010083141-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-22 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 (5 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 NR4A1 3431/4885PSEN1 7/4885PSEN2 6/4885
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP NR4A1 3431/4885PSEN1 7/4885PSEN2 6/4885
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production APP, BACE1, APBA1 NR4A1 3165/4885PSEN1 6/4885PSEN2 7/4885
US-10869934-B2 Antiproliferative compounds and conjugates made therefrom MKI67, HDGF, PCLAF NR4A1 2639/4885PSEN1 4398/4885PSEN2 4353/4885
US-10875854-B2 Triazolopyridines HTR2A, APP, PTGDR NR4A1 2151/4885PSEN1 14/4885PSEN2 32/4885

“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.