SCHEMBL571349

SCHEMBL571349

O=C(O)c1cc(Br)ccc1Oc1cccnc1F

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.51
SORT1 Q99523 4/20 0.44
LRRK2 Q5S007 4/20 0.42
PTGDR2 Q9Y5Y4 3/20 0.41
KDM4E B2RXH2 4/20 0.41
GLA P06280 1/20 0.41
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL571261 0.84 USP2 (0.43) LRRK2PTGDR2KDM4EPOLBPKM
SCHEMBL15880288 0.75 HTT (0.51) NAPRTKDM4EMAPTMEN1KMT2A
SCHEMBL22319389 0.75 PTGER4 (0.49) KDM4EGLAPOLBMAPTKMT2A
SCHEMBL31028181 0.75 PTGER4 (0.49) KDM4EGLAPOLBMAPTKMT2A
SCHEMBL2371565 0.72 POLB (0.49) PTGDR2KDM4EGLAPOLBMAPT
SCHEMBL19305655 0.72 KDM4E (0.55) PTGDR2KDM4EGLAPOLBMAPT
SCHEMBL2371418 0.72 KDM4E (0.41) SORT1KDM4EGLA
SCHEMBL2372193 0.71 KDM4E (0.42) PTGDR2KDM4EGLAPOLBMEN1
SCHEMBL26936307 0.71 KDM4E (0.67) SORT1PTGDR2KDM4EGLAPOLB
SCHEMBL2779965 0.70 ROCK2 (0.46) SORT1KDM4EPOLBMAPTMEN1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346827-B2 5-amino-oxazepine and 5-amino-thiazepane compounds as beta secretase antagonists and methods of use AMGEN INC. (US) 2016-05-24 US disclosed
US-8962859-B2 Spiro-amino-imidazo-fused heterocyclic compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2015-02-24 US disclosed
US-8957083-B2 Spiro-amino-imidazolone and spiro-amino-dihydro-pyrimidinone compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2015-02-17 US disclosed
US-8921363-B2 Derivatives of 1 H-isoindol-3-amine, 1 H-iso-aza-indol-3amine, 3,4-dihydroisoquinolin-1-amine, and 1,4-dihydroisoquinolin-3-amine as beta-secretase inhibitors AMGEN INC. (US) 2014-12-30 US disclosed
US-8883782-B2 Spiro-tetracyclic ring compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-11-11 US disclosed
EP-2601197-B1 AMINO-ISO-INDOLE, AMINO-AZA-ISO-INDOLE, AMINO-DIHYDROISOQUINOLINE AND AMINO-BENZOXAZINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2014-06-25 EP disclosed
EP-2328903-B1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2014-03-05 EP disclosed
US-20140038954-A1 Spiro-Amino-Imidazo-Fused Heterocyclic Compounds as Beta-secretase Modulators and Methods of Use AMGEN INC. (US) 2014-02-06 US disclosed
US-20140031340-A1 5-Amino-Oxazepine and 5-Amino-Thiazepane Compounds as Beta Secretase Antagonists and Methods of Use AMGEN INC. (US) 2014-01-30 US disclosed
EP-2675810-A1 SPIRO-AMINO-IMIDAZO-FUSED HETEROCYCLIC COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2013-12-25 EP disclosed
EP-2547685-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA - SECRETASE MODULATORS Amgen Inc. (US) 2013-01-23 EP disclosed
WO-2012112462-A1 SPIRO-AMINO-IMIDAZO-FUSED HETEROCYCLIC COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2012-08-23 WO disclosed
WO-2012109165-A1 5-AMINO-OXAZEPINE AND 5-AMINO-THIAZEPANE COMPOUNDS AS BETA-SECRETASE ANTAGONISTS AND METHODS OF USE AMGEN INC. (US) 2012-08-16 WO disclosed
WO-2012071279-A1 SPIRO-AMINO-IMIDAZOLONE AND SPIRO-AMINO-DIHYDRO-PYRIMIDINONE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2012-05-31 WO disclosed
WO-2012019056-A1 AMINO-ISO-INDOLE, AMINO-AZA-ISO-INDOLE, AMINO-DIHYDROISOQUINOLINE AND AMINO-BENZOXAZINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2012-02-09 WO disclosed
US-20110251190-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-10-13 US disclosed
WO-2011115938-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA - SECRETASE MODULATORS AMGEN INC. (US) 2011-09-22 WO disclosed
EP-2328903-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2011-06-08 EP disclosed
US-20100087429-A1 SPIRO-TRICYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-04-08 US disclosed
WO-2010030954-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-03-18 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-20140031340-A1 5-Amino-Oxazepine and 5-Amino-Thiazepane Compounds as Beta Secretase Antagonists and Methods of Use BACE1, BACE2, APP NAPRT 2689/4885SORT1 2193/4885LRRK2 667/4885
US-20140038954-A1 Spiro-Amino-Imidazo-Fused Heterocyclic Compounds as Beta-secretase Modulators and Methods of Use BACE1, BACE2, APP NAPRT 2303/4885SORT1 1699/4885LRRK2 70/4885
US-20110251190-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP NAPRT 2630/4885SORT1 1245/4885LRRK2 155/4885
US-20100087429-A1 SPIRO-TRICYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP NAPRT 2373/4885SORT1 1884/4885LRRK2 198/4885

“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.