SCHEMBL4278577

SCHEMBL4278577

CCN(CC)CCN(C)Cc1ccc(Br)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 1.00
ALDH1A1 P00352 1/20 1.00
PYCR1 P32322 8/20 0.57
MAOB P27338 1/20 0.51
TAAR1 Q96RJ0 1/20 0.46
SIGMAR1 Q99720 3/20 0.45
HRH3 Q9Y5N1 1/20 0.44
TSHR P16473 1/20 0.43
TMEM97 Q5BJF2 1/20 0.40

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
SCHEMBL8254052 0.85 KDM4E (0.73) KDM4EALDH1A1PYCR1SIGMAR1HRH3
SCHEMBL1241978 0.82 KDM4E (0.70) KDM4EALDH1A1PYCR1MAOBTAAR1
SCHEMBL1241075 0.82 KDM4E (0.69) KDM4EALDH1A1PYCR1MAOBTAAR1
SCHEMBL10187442 0.80 PYCR1 (0.69) KDM4EALDH1A1PYCR1MAOBTAAR1
SCHEMBL69821 0.80 PYCR1 (0.69) KDM4EALDH1A1PYCR1MAOBTAAR1
SCHEMBL15128047 0.80 PYCR1 (0.67) KDM4EALDH1A1PYCR1MAOBTAAR1
SCHEMBL1241957 0.79 KDM4E (0.66) KDM4EALDH1A1PYCR1MAOBTAAR1
SCHEMBL31612505 0.78 KDM4E (0.64) KDM4EALDH1A1PYCR1MAOBTAAR1
SCHEMBL308505 0.77 KDM4E (0.62) KDM4EALDH1A1PYCR1MAOBTAAR1
SCHEMBL308737 0.77 KDM4E (0.62) KDM4EALDH1A1PYCR1MAOBTAAR1

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 19 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
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
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 KDM4E 1214/4885ALDH1A1 3789/4885PYCR1 1553/4885
US-20090275569-A1 Benzotriazine Inhibitors of Kinases SRC, CAMK4, CAMK2G KDM4E 1214/4885ALDH1A1 3789/4885PYCR1 1553/4885
US-20050245524-A1 Benzotriazine inhibitors of kinases SRC, CAMK4, CAMK2G KDM4E 1214/4885ALDH1A1 3789/4885PYCR1 1553/4885

“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.