SCHEMBL2493968

SCHEMBL2493968

O=C(NCCN1CCCC1)c1ccc(Br)cc1

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.71
NPSR1 Q6W5P4 1/20 0.71
CYP1A2 P05177 1/20 0.71
CYP2D6 P10635 1/20 0.71
CYP2C9 P11712 1/20 0.71
POLB P06746 1/20 0.66
TSHR P16473 1/20 0.64
GLA P06280 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
HDAC2 Q92769 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
HPGD P15428 2/20 0.60
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
EPHX2 P34913 1/20 0.59
DRD2 P14416 1/20 0.57
DRD3 P35462 1/20 0.57
HTR3A P46098 1/20 0.56

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
SCHEMBL14006003 0.88 TSHR (0.70) ALDH1A1NPSR1CYP1A2CYP2D6CYP2C9
SCHEMBL6034019 0.87 TSHR (0.85) ALDH1A1CYP1A2CYP2D6POLBTSHR
SCHEMBL30969330 0.84 ALDH1A1 (0.71) ALDH1A1NPSR1CYP1A2CYP2D6CYP2C9
SCHEMBL1512550 0.84 CYP1A2 (0.97) ALDH1A1NPSR1CYP1A2CYP2D6CYP2C9
SCHEMBL4488723 0.84 CYP1A2 (0.76) ALDH1A1NPSR1CYP1A2CYP2D6CYP2C9
SCHEMBL3408343 0.84 ALDH1A1 (0.71) ALDH1A1NPSR1CYP1A2CYP2D6CYP2C9
SCHEMBL279945 0.84 NPSR1 (0.97) ALDH1A1NPSR1CYP1A2CYP2D6CYP2C9
SCHEMBL1381550 0.84 ALDH1A1 (0.70) ALDH1A1NPSR1CYP1A2CYP2D6CYP2C9
SCHEMBL14329888 0.83 ALDH1A1 (0.94) ALDH1A1NPSR1CYP1A2CYP2D6CYP2C9
SCHEMBL29605727 0.83 CYP1A2 (0.74) ALDH1A1NPSR1CYP1A2CYP2D6CYP2C9

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 27 patents — showing the first 20. 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-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-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 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-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 (4 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 ALDH1A1 3789/4885NPSR1 599/4885CYP1A2 2034/4885
US-20060247250-A1 Pyrimidine inhibitors of kinases DTYMK, SRC, DCK ALDH1A1 3321/4885NPSR1 1524/4885CYP1A2 2963/4885
US-20050245524-A1 Benzotriazine inhibitors of kinases SRC, CAMK4, CAMK2G ALDH1A1 3789/4885NPSR1 599/4885CYP1A2 2034/4885
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS KDR, FLT4, FLT1 ALDH1A1 3119/4885NPSR1 1663/4885CYP1A2 2724/4885

“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.