SCHEMBL210200

SCHEMBL210200

O=C1CN[N]c2ccc(Br)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.39
PARP10 Q53GL7 2/20 0.38
PARP1 P09874 1/20 0.38
TGM2 P21980 1/20 0.37
CES1 P23141 1/20 0.37
CMA1 P23946 1/20 0.36
AHR P35869 1/20 0.36
PTPRC P08575 1/20 0.35
PBRM1 Q86U86 1/20 0.35
BCL2 P10415 1/20 0.34
MCL1 Q07820 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TDP2 O95551 1/20 0.34
PARP11 Q9NR21 1/20 0.34

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
SCHEMBL207295 0.86 PARP10 (0.41) S100A4PARP10PARP1TGM2CES1
SCHEMBL209629 0.79 PARP1 (0.38) PARP10PARP1CA1CA2CA7
SCHEMBL207385 0.75 TYMS (0.36) CA1CA2CA4CA9TYMS
SCHEMBL19160462 0.69 S100A4 (0.41) S100A4PARP10PARP1TGM2CES1
SCHEMBL5325611 0.68 TGM2 (0.48) S100A4PARP10PARP1TGM2CES1
SCHEMBL208639 0.68 PPOX (0.40) S100A4PARP10PARP1TGM2CES1
SCHEMBL207108 0.68 PARP1 (0.38) PARP10PARP1CA1CA2CA7
SCHEMBL21591726 0.67 PARP10 (0.47) S100A4PARP10PARP1TGM2CES1
SCHEMBL28901830 0.63 S100A4 (0.46) S100A4PARP10PARP1TGM2CES1
SCHEMBL28798949 0.63 PARP10 (0.47) S100A4PARP10PARP1TGM2CES1

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 38 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-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 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
US-8058440-B2 Process for producing 5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxylic acid DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-11-15 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-20110054177-A1 PROCESS FOR PRODUCING 5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-c]PYRIDINE-2-CARBOXYLIC ACID DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-03-03 US disclosed
US-7880005-B2 reacting 5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine with an alkali metal nitrite in the presence of a reducing agent in an aqueous solution of an acidic compound; hydrolysis; industrial scale DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-02-01 US disclosed
EP-2266992-A2 Process for producing thiazole derivative Daiichi Sankyo Company, Limited (JP) 2010-12-29 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
EP-1683800-A1 PROCESS FOR PRODUCING THIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-07-26 EP 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20110054177-A1 PROCESS FOR PRODUCING 5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-c]PYRIDINE-2-CARBOXYLIC ACID PAH, CA4, TET2 S100A4 746/4885PARP10 1379/4885PARP1 1557/4885
US-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S S100A4 3704/4885PARP10 1689/4885PARP1 1843/4885
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 S100A4 3658/4885PARP10 1082/4885PARP1 1270/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R S100A4 3417/4885PARP10 655/4885PARP1 816/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R S100A4 3417/4885PARP10 655/4885PARP1 816/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R S100A4 3417/4885PARP10 655/4885PARP1 816/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 S100A4 2394/4885PARP10 385/4885PARP1 372/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R S100A4 3348/4885PARP10 770/4885PARP1 960/4885

“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.