SCHEMBL2376923

SCHEMBL2376923

CN(CCN1CCOCC1)S(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.76
ALDH1A1 P00352 3/20 0.64
KMT2A Q03164 2/20 0.49
MMP3 P08254 1/20 0.49
MEN1 O00255 1/20 0.49
BMP1 P13497 1/20 0.48
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
MPI P34949 1/20 0.46
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
CA1 P00915 1/20 0.46
IDO1 P14902 1/20 0.45
TSHR P16473 1/20 0.44
ABL1 P00519 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
SCHEMBL8595796 0.92 ALDH1A1 (0.67) SIGMAR1ALDH1A1KMT2AMMP3MEN1
SCHEMBL4271065 0.87 SIGMAR1 (0.97) SIGMAR1ALDH1A1MMP3CA12CA9
SCHEMBL28092846 0.86 MEN1 (0.58) SIGMAR1ALDH1A1KMT2AMMP3MEN1
SCHEMBL2375782 0.84 SIGMAR1 (0.54) SIGMAR1ALDH1A1KMT2AMMP3MEN1
SCHEMBL2378481 0.83 SIGMAR1 (0.53) SIGMAR1ALDH1A1KMT2AMMP3MEN1
SCHEMBL8595603 0.80 SIGMAR1 (0.82) SIGMAR1ALDH1A1MMP3
SCHEMBL6597751 0.79 SIGMAR1 (0.64) SIGMAR1ALDH1A1KMT2AMMP3MEN1
SCHEMBL28833124 0.76 ALDH1A1 (0.61) SIGMAR1ALDH1A1KMT2AMEN1LMNA
SCHEMBL3517085 0.76 KMT2A (0.72) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL5303617 0.74 LMNA (0.65) ALDH1A1KMT2AMEN1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP disclosed
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
US-8481536-B2 Benzotriazine inhibitors of kinases TARGEGEN, INC. (US) 2013-07-09 US 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
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-20110294796-A1 BENZOTRIAZINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-12-01 US disclosed
US-20110294796-A1 BENZOTRIAZINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-12-01 US disclosed
US-20090275569-A1 Benzotriazine Inhibitors of Kinases TARGEGEN, INC. 2009-11-05 US disclosed
US-20090275569-A1 Benzotriazine Inhibitors of Kinases TARGEGEN, INC. 2009-11-05 US disclosed
US-20090275569-A1 Benzotriazine Inhibitors of Kinases TARGEGEN, INC. 2009-11-05 US disclosed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 EP disclosed
US-7456176-B2 Benzotriazine inhibitors of kinases TARGEGEN, INC. (US) 2008-11-25 US disclosed
US-7456176-B2 Benzotriazine inhibitors of kinases TARGEGEN, INC. (US) 2008-11-25 US disclosed
US-7456176-B2 Benzotriazine inhibitors of kinases TARGEGEN, INC. (US) 2008-11-25 US disclosed
EP-1809614-A2 BENZOTRIAZINE INHIBITORS OF KINASES Targegen, Inc. (US) 2007-07-25 EP 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 (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-20110294796-A1 BENZOTRIAZINE INHIBITORS OF KINASES SRC, CAMK4, CAMK2G SIGMAR1 948/4885ALDH1A1 3789/4885KMT2A 1819/4885
US-20090275569-A1 Benzotriazine Inhibitors of Kinases SRC, CAMK4, CAMK2G SIGMAR1 948/4885ALDH1A1 3789/4885KMT2A 1819/4885
US-20050245524-A1 Benzotriazine inhibitors of kinases SRC, CAMK4, CAMK2G SIGMAR1 948/4885ALDH1A1 3789/4885KMT2A 1819/4885

“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.