SCHEMBL2371063

SCHEMBL2371063

O=C(O)c1cc(I)ccc1Oc1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
POLB P06746 1/20 0.48
PTPRC P08575 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPRA P18433 1/20 0.41
PTPRB P23467 1/20 0.41
PTPRE P23469 1/20 0.41
PTPN6 P29350 1/20 0.41
MCL1 Q07820 2/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
MAP3K8 P41279 1/20 0.40
CFD P00746 1/20 0.39
LDHA P00338 1/20 0.39
GLA P06280 1/20 0.39
PYGL P06737 2/20 0.38
SRD5A2 P31213 1/20 0.38
PYGM P11217 1/20 0.38
TTR P02766 1/20 0.37

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
SCHEMBL8282850 0.86 PTGER4 (0.48) KDM4EPOLBPTPRCPTPN2PTPN1
SCHEMBL10170971 0.83 MAP3K8 (0.45) KDM4EPOLBMCL1AKR1C3AKR1C2
SCHEMBL571110 0.81 POLB (0.72) KDM4EPOLBMCL1AKR1C3AKR1C2
SCHEMBL47045 0.78 AKR1C3 (0.47) KDM4EPOLBMCL1AKR1C3AKR1C2
SCHEMBL7921365 0.78 CTNNB1 (0.56) KDM4EPOLBMCL1AKR1C3ALDH1A1
SCHEMBL19305655 0.78 KDM4E (0.55) KDM4EPOLBMCL1GLATTR
SCHEMBL31028181 0.77 PTGER4 (0.49) KDM4EPOLBGLA
SCHEMBL22319389 0.77 PTGER4 (0.49) KDM4EPOLBGLA
SCHEMBL3296817 0.75 PTPRC (0.47) KDM4EPOLBPTPRCPTPN2PTPN1
SCHEMBL24407810 0.75 CTNNB1 (0.56) KDM4EPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9777019-B2 Amino-oxazine and amino-dihydrothiazine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2017-10-03 US disclosed
US-9725469-B2 Amino-oxazine and amino-dihydrothiazine compounds as beta-secretase modulators and methods of use AMGEN, INC. (US) 2017-08-08 US disclosed
US-20160159818-A1 Amino-Oxazine and Amino-Dihydrothiazine Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2016-06-09 US disclosed
US-9296759-B2 Amino-oxazine and amino-dihydrothiazine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US disclosed
US-20150307521-A1 AMINO-OXAZINE AND AMINO-DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2015-10-29 US disclosed
US-9012446-B2 Amino-oxazines and amino-dihydrothiazine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2015-04-21 US disclosed
US-20140296226-A1 Amino-Oxazine and Amino-Dihydrothiazine Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. 2014-10-02 US disclosed
EP-2758406-A1 AMINO-OXAZINES AND AMINO-DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2014-07-30 EP disclosed
WO-2014078314-A1 AMINO-OXAZINE AND AMINO-DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2014-05-22 WO disclosed
US-20140045828-A1 AMINO-OXAZINES AND AMINO-DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. 2014-02-13 US disclosed
EP-2547686-B1 AMINO-DIHYDROOXAZINE AND AMINO-DIHYDROTHIAZINE SPIRO COMPOUNDS AS BETA-SECRETASE MODULATORS AND THEIR MEDICAL USE AMGEN INC (US) 2014-01-22 EP disclosed
US-8497264-B2 Amino-oxazines and amino-dihydrothiazine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2013-07-30 US disclosed
WO-2013044092-A1 AMINO-OXAZINES AND AMINO-DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2013-03-28 WO disclosed
EP-2547686-A1 AMINO -DIHYDROOXAZINE AND AMINO - DIHYDROTHIAZINE SPIRO COMPOUNDS AS BETA - SECRETASE MODULATORS AND THEIR MEDICAL USE Amgen Inc. (US) 2013-01-23 EP disclosed
US-20110251186-A1 Amino-Oxazines and Amino-Dihydrothiazine Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2011-10-13 US disclosed
WO-2011115928-A1 AMINO -DIHYDROOXAZINE AND AMINO - DIHYDROTHIAZINE SPIRO COMPOUNDS AS BETA - SECRETASE MODULATORS AND THEIR MEDICAL USE AMGEN INC. (US) 2011-09-22 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-20140296226-A1 Amino-Oxazine and Amino-Dihydrothiazine Compounds as Beta-Secretase Modulators and Methods of Use BACE1, APP, BACE2 KDM4E 1486/4885POLB 3055/4885PTPRC 3595/4885
US-20160159818-A1 Amino-Oxazine and Amino-Dihydrothiazine Compounds as Beta-Secretase Modulators and Methods of Use BACE1, APP, BACE2 KDM4E 1677/4885POLB 3042/4885PTPRC 3714/4885
US-20140045828-A1 AMINO-OXAZINES AND AMINO-DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, APP, BACE2 KDM4E 1502/4885POLB 3117/4885PTPRC 3386/4885
US-20110251186-A1 Amino-Oxazines and Amino-Dihydrothiazine Compounds as Beta-Secretase Modulators and Methods of Use BACE1, APP, BACE2 KDM4E 1502/4885POLB 3117/4885PTPRC 3386/4885
US-20150307521-A1 AMINO-OXAZINE AND AMINO-DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, APP, BACE2 KDM4E 1486/4885POLB 3055/4885PTPRC 3595/4885

“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.