SCHEMBL208503

SCHEMBL208503

C1=NCNc2c1ccc1ncccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP3A4 P08684 2/20 0.41
LMNA P02545 3/20 0.40
HIF1A Q16665 2/20 0.40
BLM P54132 2/20 0.40
MEN1 O00255 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.36
ERN1 O75460 1/20 0.35
NCOA1 Q15788 2/20 0.34
NCOA3 Q9Y6Q9 1/20 0.33
TSHR P16473 2/20 0.33
CYP1A2 P05177 2/20 0.33
POLB P06746 2/20 0.33
CDK1 P06493 1/20 0.32
MAPKAPK2 P49137 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
SCHEMBL70023 0.77 MAPT (0.48) MAPTKDM4ECYP3A4LMNAHIF1A
Bromide SCHEMBL28730172 0.75 MAPT (0.47) MAPTKDM4ECYP3A4LMNAHIF1A
SCHEMBL10372231 0.72 MAPT (0.47) MAPTKDM4ECYP3A4LMNAHIF1A
SCHEMBL2255540 0.69 ALDH1A1 (0.35) MAPTKDM4ELMNAHIF1AHTT
SCHEMBL217044 0.69 MAPT (1.00) MAPTKDM4ECYP3A4LMNAHIF1A
SCHEMBL5736513 0.68 MAPT (0.42) MAPTKDM4ECYP3A4LMNAHIF1A
SCHEMBL31298072 0.68
SCHEMBL29362460 0.67 CYP1A2 (0.31) SMN1; SMN2CYP1A2
SCHEMBL870400 0.67 CYP1A2 (0.31) SMN1; SMN2CYP1A2
SCHEMBL5937225 0.67 MAPT (0.44) MAPTKDM4ECYP3A4LMNAHIF1A

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 33 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
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 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-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 US 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-20060004009-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE 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
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP disclosed
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 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 (10 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-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL MAPT 1834/4885KDM4E 4615/4885CYP3A4 1527/4885
US-20060004009-A1 Ethylenediamine derivatives F2, ECE1, MLLT1 MAPT 4475/4885KDM4E 740/4885CYP3A4 117/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R MAPT 4271/4885KDM4E 3971/4885CYP3A4 1884/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R MAPT 4271/4885KDM4E 3971/4885CYP3A4 1884/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R MAPT 4343/4885KDM4E 3773/4885CYP3A4 1667/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 MAPT 4007/4885KDM4E 4080/4885CYP3A4 1412/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R MAPT 4271/4885KDM4E 3971/4885CYP3A4 1884/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 MAPT 4302/4885KDM4E 588/4885CYP3A4 2556/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R MAPT 4230/4885KDM4E 3759/4885CYP3A4 1798/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 MAPT 4605/4885KDM4E 645/4885CYP3A4 315/4885

“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.