SCHEMBL209273

SCHEMBL209273

O=C1NN=C[N]c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
LMNA P02545 5/20 0.46
TDP1 Q9NUW8 3/20 0.46
GSK3B P49841 2/20 0.38
MAPT P10636 4/20 0.33
CASP3 P42574 1/20 0.33
CASP2 P42575 1/20 0.33
CASP7 P55210 1/20 0.33
CASP6 P55212 1/20 0.33
CASP8 Q14790 1/20 0.33
GAA P10253 1/20 0.33
MAOA P21397 3/20 0.32
CDK8 P49336 2/20 0.32
MAOB P27338 2/20 0.32
PDGFRA P16234 1/20 0.32
FER P16591 1/20 0.32
LTK P29376 1/20 0.32
ACVR1 Q04771 1/20 0.32
LRRK2 Q5S007 1/20 0.32
DYRK1B Q9Y463 1/20 0.32

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
SCHEMBL334824 0.74 GSK3B (0.44) KDM4ELMNATDP1GSK3BMAPT
SCHEMBL20504712 0.74 GSK3B (0.44) KDM4ELMNATDP1GSK3BMAPT
SCHEMBL332780 0.72 GSK3B (0.37) KDM4ELMNATDP1GSK3BMAPT
SCHEMBL1096642 0.68 GSK3B (0.38) KDM4ELMNATDP1GSK3BMAPT
SCHEMBL9253865 0.64 KDM4E (0.46) KDM4ELMNATDP1GSK3BMAOA
SCHEMBL29412517 0.63 KDM4E (0.44) KDM4ELMNATDP1GSK3BMAPT
SCHEMBL8425345 0.63 CASP3 (0.45) KDM4ELMNATDP1GSK3BMAPT
SCHEMBL21296775 0.63 GSK3B (0.52) KDM4ELMNATDP1GSK3BMAPT
SCHEMBL5142142 0.63 GSK3B (0.41) KDM4ELMNATDP1GSK3BMAPT
SCHEMBL555451 0.63 GSK3B (0.52) KDM4ELMNATDP1GSK3BMAPT

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-1925611-B1 OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME DAIICHI SANKYO CO LTD (JP) 2016-04-13 EP disclosed
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
EP-2343290-A1 Diamine derivatives as factor X inhibitors Daiichi Sankyo Company, Limited (JP) 2011-07-13 EP disclosed
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 US disclosed
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20100093785-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 US disclosed
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM DAIICHI PHARMACEUTICAL CO., LTD (JP) 2009-11-12 US disclosed
US-20090270446-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-10-29 US disclosed
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 US disclosed
EP-1864982-A1 TRIAMINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 US disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP 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 (13 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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S KDM4E 3425/4885LMNA 1968/4885TDP1 1949/4885
US-20090270446-A1 DIAMINE DERIVATIVES F2, TFPI, F3 KDM4E 588/4885LMNA 2682/4885TDP1 626/4885
US-20090239857-A1 TRIAMINE DERIVATIVE F2, F12, F3 KDM4E 2715/4885LMNA 279/4885TDP1 3572/4885
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL KDM4E 4615/4885LMNA 4081/4885TDP1 1819/4885
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 KDM4E 3761/4885LMNA 2788/4885TDP1 2062/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R KDM4E 3971/4885LMNA 2624/4885TDP1 922/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R KDM4E 3971/4885LMNA 2624/4885TDP1 922/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R KDM4E 3971/4885LMNA 2624/4885TDP1 922/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R KDM4E 3773/4885LMNA 3318/4885TDP1 1287/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 KDM4E 4080/4885LMNA 3830/4885TDP1 1197/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R KDM4E 3971/4885LMNA 2624/4885TDP1 922/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 KDM4E 588/4885LMNA 2682/4885TDP1 626/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R KDM4E 3759/4885LMNA 2829/4885TDP1 1080/4885

“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.