SCHEMBL2494859

SCHEMBL2494859

O=S(=O)(CCCN1CCCC1)c1ccc(Br)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.57
LOX P28300 2/20 0.56
POLB P06746 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.49
ATM Q13315 1/20 0.49
PLCG1 P19174 1/20 0.47
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
HRH3 Q9Y5N1 4/20 0.46
EPHX2 P34913 1/20 0.45
KCNH2 Q12809 2/20 0.44
MBTD1 Q05BQ5 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL11533149 0.86 EPHX2 (0.60) ALDH1A1TSHRHRH3EPHX2MEN1
SCHEMBL14304331 0.84 LOX (0.60) SIGMAR1LOXL3MBTL1ALDH1A1TSHR
SCHEMBL14502091 0.84 ALDH1A1 (0.62) LOXPOLBL3MBTL1ALDH1A1TSHR
SCHEMBL19274818 0.84 HRH3 (0.64) LOXL3MBTL1HRH3EPHX2KCNH2
SCHEMBL4270620 0.82 L3MBTL1 (0.63) SIGMAR1LOXPOLBL3MBTL1ALDH1A1
SCHEMBL14490130 0.80 MEN1 (0.55) SIGMAR1LOXL3MBTL1ALDH1A1HRH3
SCHEMBL19152146 0.77 MEN1 (0.49) SIGMAR1POLBPLCG1ALDH1A1MEN1
SCHEMBL6034608 0.77 SIGMAR1 (0.83) SIGMAR1POLBL3MBTL1TSHRMBTD1
SCHEMBL3517085 0.76 KMT2A (0.72) POLBPLCG1ALDH1A1TSHREPHX2
SCHEMBL5444031 0.76 KMT2A (0.46) POLBALDH1A1TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1809614-B1 BENZOTRIAZINE INHIBITORS OF KINASES TARGEGEN INC (US) 2014-05-07 EP disclosed
US-8481536-B2 Benzotriazine inhibitors of kinases TARGEGEN, INC. (US) 2013-07-09 US disclosed
EP-2543376-A1 Benzotriazine inhibitors of kinases Targegen, Inc. (US) 2013-01-09 EP disclosed
US-20110294796-A1 BENZOTRIAZINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-12-01 US disclosed
US-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 US disclosed
US-20090275569-A1 Benzotriazine Inhibitors of Kinases TARGEGEN, INC. 2009-11-05 US disclosed
US-7456176-B2 Benzotriazine inhibitors of kinases TARGEGEN, INC. (US) 2008-11-25 US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 US disclosed
WO-2008008234-A1 2-AMINO-5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-17 WO disclosed
EP-1809614-A2 BENZOTRIAZINE INHIBITORS OF KINASES Targegen, Inc. (US) 2007-07-25 EP disclosed
US-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations TARGEGEN, INC. (US) 2007-06-28 US disclosed
WO-2007056075-A2 SIX MEMBERED HETEROAROMATIC INHIBITORS TARGETING RESISTANT KINASE MUTATIONS TARGEGEN, INC. (US) 2007-05-18 WO disclosed
US-20060247250-A1 Pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2006-11-02 US disclosed
US-20050245524-A1 Benzotriazine inhibitors of kinases TARGEGEN, INC. (US) 2005-11-03 US disclosed
WO-2005096784-A2 BENZOTRIAZINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2005-10-20 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 (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-20110294796-A1 BENZOTRIAZINE INHIBITORS OF KINASES SRC, CAMK4, CAMK2G SIGMAR1 948/4885LOX 1591/4885POLB 4627/4885
US-20090275569-A1 Benzotriazine Inhibitors of Kinases SRC, CAMK4, CAMK2G SIGMAR1 948/4885LOX 1591/4885POLB 4627/4885
US-20060247250-A1 Pyrimidine inhibitors of kinases DTYMK, SRC, DCK SIGMAR1 2661/4885LOX 3047/4885POLB 1133/4885
US-20050245524-A1 Benzotriazine inhibitors of kinases SRC, CAMK4, CAMK2G SIGMAR1 948/4885LOX 1591/4885POLB 4627/4885
US-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations ABL1, KDR, BCR SIGMAR1 3487/4885LOX 1661/4885POLB 1755/4885
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS KDR, FLT4, FLT1 SIGMAR1 2139/4885LOX 1463/4885POLB 2267/4885

“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.