SCHEMBL210573

SCHEMBL210573

O=C1C[N]Nc2cc(Br)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.40
AHR P35869 1/20 0.40
S100A4 P26447 1/20 0.39
PARP10 Q53GL7 2/20 0.38
TDP2 O95551 1/20 0.38
PARP11 Q9NR21 1/20 0.38
TGM2 P21980 1/20 0.37
CES1 P23141 1/20 0.37
KMT2A Q03164 2/20 0.35
PTPRC P08575 1/20 0.35
METAP1 P53582 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
PARP1 P09874 1/20 0.34
GABRA1 P14867 2/20 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
SCHEMBL208247 0.86 TGM2 (0.44) CMA1AHRS100A4PARP10TGM2
SCHEMBL209188 0.79 CES1 (0.44) CMA1AHRS100A4TGM2CES1
SCHEMBL206792 0.75 TYMS (0.34) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL25986111 0.69 CMA1 (0.62) CMA1AHRS100A4TDP2TGM2
SCHEMBL29676514 0.69 MEN1 (0.54) CMA1AHRS100A4PARP10TDP2
SCHEMBL16794237 0.69 MEN1 (0.54) CMA1AHRS100A4PARP10TDP2
SCHEMBL207213 0.68 CMA1 (0.40) CMA1AHRS100A4PARP10TDP2
SCHEMBL209496 0.68 HTR5A (0.40) PARP10KMT2ACA1CA2CA4
SCHEMBL29783253 0.68 CMA1 (0.51) CMA1AHRS100A4PARP10TDP2
SCHEMBL211653 0.68 CES1 (0.44) CMA1AHRS100A4PARP10TGM2

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-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-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 CMA1 137/4885AHR 2813/4885S100A4 746/4885
US-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S CMA1 861/4885AHR 3114/4885S100A4 3704/4885
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 CMA1 2008/4885AHR 3301/4885S100A4 3658/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R CMA1 2177/4885AHR 3277/4885S100A4 3417/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R CMA1 2177/4885AHR 3277/4885S100A4 3417/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R CMA1 2177/4885AHR 3277/4885S100A4 3417/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 CMA1 1214/4885AHR 3066/4885S100A4 2394/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R CMA1 2136/4885AHR 2824/4885S100A4 3348/4885

“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.