SCHEMBL2555899

SCHEMBL2555899

O=S(=O)(CCCBr)c1cccc(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
MMP2 P08253 2/20 0.38
HSD11B1 P28845 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
PGR P06401 1/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
KAT6A Q92794 1/20 0.37
MEN1 O00255 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
SCHEMBL17364184 0.91 ATM (0.45) ATML3MBTL1MMP2HSD11B1HDAC3
SCHEMBL1369364 0.84 CA2 (0.50) ATML3MBTL1MMP2HSD11B1HDAC3
SCHEMBL1710715 0.84 ATM (0.41) ATML3MBTL1MMP2HSD17B2ALDH1A1
SCHEMBL2443608 0.83 CA2 (0.51) ATML3MBTL1MMP2HSD11B1HDAC3
SCHEMBL4017159 0.80 TAAR1 (0.46) ATML3MBTL1HDAC3HDAC4HDAC1
SCHEMBL21872095 0.80 ATM (0.58) ATMHSD11B1HDAC3HDAC4HDAC1
SCHEMBL1885866 0.80 ALDH1A1 (0.45) ATML3MBTL1MMP2HSD11B1HDAC1
SCHEMBL2552754 0.80 ALDH1A1 (0.48) ATMKMT2AALDH1A1
SCHEMBL1369921 0.80 CA2 (0.47) ATMMMP2HSD11B1EGFRERBB2
SCHEMBL17699828 0.80 ATM (0.43) ATML3MBTL1MMP2HSD11B1PGR

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 10 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
WO-2011123937-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 WO 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
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 ATM 1609/4885L3MBTL1 4654/4885MMP2 3373/4885
US-20090275569-A1 Benzotriazine Inhibitors of Kinases SRC, CAMK4, CAMK2G ATM 1609/4885L3MBTL1 4654/4885MMP2 3373/4885
US-20050245524-A1 Benzotriazine inhibitors of kinases SRC, CAMK4, CAMK2G ATM 1609/4885L3MBTL1 4654/4885MMP2 3373/4885

“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.