SCHEMBL2493680

SCHEMBL2493680

O=C(OCc1ccccc1)N1CCC(Sc2ccc(Br)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
CYP2C19 P33261 1/20 0.57
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GRIN2B Q13224 9/20 0.49
HTT P42858 1/20 0.49
CYP2D6 P10635 4/20 0.48
CYP2C9 P11712 4/20 0.48
CYP3A4 P08684 3/20 0.46
ENPP2 Q13822 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
MMP7 P09237 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
L3MBTL1 Q9Y468 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
SCHEMBL31277897 0.88 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL7037887 0.85 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
Hydrochloric Acid SCHEMBL7040948 0.84 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL7037885 0.83 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
Hydrochloric Acid SCHEMBL7038329 0.82 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL25329767 0.81 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL18732908 0.80 SMN1; SMN2 (0.69) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL14335634 0.80 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL23592493 0.79 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL4015399 0.79 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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 25 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
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-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 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
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-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 SMN1; SMN2 4685/4885NPC1 3968/4885RAB9A 4609/4885
US-20050245524-A1 Benzotriazine inhibitors of kinases SRC, CAMK4, CAMK2G SMN1; SMN2 4685/4885NPC1 3968/4885RAB9A 4609/4885
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS KDR, FLT4, FLT1 SMN1; SMN2 4812/4885NPC1 4681/4885RAB9A 3189/4885

“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.