SCHEMBL2370967

SCHEMBL2370967

O=c1c2cc(I)ccc2oc2ncc(Br)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 2/20 0.44
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 3/20 0.36
GRM5 P41594 1/20 0.36
APP P05067 4/20 0.36
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
MAPT P10636 3/20 0.36
GFER P55789 1/20 0.36
IDO1 P14902 1/20 0.36
PIM1 P11309 2/20 0.35
CDC7 O00311 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
PIM3 Q86V86 1/20 0.35
CSNK2A3 Q8NEV1 1/20 0.35
PIM2 Q9P1W9 1/20 0.35

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
SCHEMBL29693906 1.00 TBK1 (0.44) TBK1KDM4EALDH1A1KMT2AGRM5
SCHEMBL12212535 0.83 MAPT (0.52) TBK1KDM4EALDH1A1KMT2ANPC1
SCHEMBL2000388 0.80 PIM1 (0.49) TBK1KDM4EALDH1A1KMT2AAPP
SCHEMBL1993179 0.80 ALDH1A1 (0.61) TBK1KDM4EALDH1A1KMT2ANPC1
SCHEMBL13911864 0.76 NPC1 (0.57) KDM4EALDH1A1KMT2AAPPNPC1
SCHEMBL28394430 0.76 TBK1 (0.46) TBK1KDM4EALDH1A1KMT2AGRM5
SCHEMBL15631652 0.75 IDO1 (0.43) TBK1KMT2AGRM5NPC1RAB9A
SCHEMBL571171 0.74 MAPT (0.54) TBK1KDM4EALDH1A1KMT2ANPC1
SCHEMBL10170969 0.73 CYP11B1 (0.44) TBK1KDM4EALDH1A1KMT2AAPP
SCHEMBL2371031 0.72 TBK1 (0.35) TBK1KDM4EALDH1A1KMT2AIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110938083-B Compounds as BACE1 inhibitors and uses thereof 南京圣和药业股份有限公司 2022-06-07 CN disclosed
CN-110938083-A Compounds as BACE1 inhibitors and uses thereof 南京圣和药业股份有限公司 2020-03-31 CN disclosed
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-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-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-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-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-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-20110251190-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-10-13 US 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
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
US-20110251190-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-10-13 US 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
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
WO-2011115938-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA - SECRETASE MODULATORS AMGEN INC. (US) 2011-09-22 WO 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
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 (3 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-20160159818-A1 Amino-Oxazine and Amino-Dihydrothiazine Compounds as Beta-Secretase Modulators and Methods of Use BACE1, APP, BACE2 TBK1 1978/4885KDM4E 1677/4885ALDH1A1 654/4885
US-20110251186-A1 Amino-Oxazines and Amino-Dihydrothiazine Compounds as Beta-Secretase Modulators and Methods of Use BACE1, APP, BACE2 TBK1 1825/4885KDM4E 1502/4885ALDH1A1 625/4885
US-20110251190-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP TBK1 2235/4885KDM4E 2994/4885ALDH1A1 572/4885

“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.