SCHEMBL208247

SCHEMBL208247

O=C1C[N]Nc2ccc(Br)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.44
CES1 P23141 1/20 0.44
KMT2A Q03164 2/20 0.41
GABRA1 P14867 3/20 0.40
GABRA5 P31644 3/20 0.40
GABRA3 P34903 3/20 0.40
GABRA2 P47869 3/20 0.40
GABRB2 P47870 2/20 0.40
MEN1 O00255 1/20 0.40
S100A4 P26447 1/20 0.39
ADRA1A P35348 1/20 0.39
PARP1 P09874 1/20 0.38
PARP10 Q53GL7 1/20 0.38
LRRK2 Q5S007 2/20 0.37
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
CHRM1 P11229 1/20 0.36
CMA1 P23946 1/20 0.36
AHR P35869 1/20 0.36
CHEK2 O96017 1/20 0.36

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
SCHEMBL210573 0.86 CMA1 (0.40) TGM2CES1KMT2AGABRA1GABRA5
SCHEMBL211653 0.79 CES1 (0.44) TGM2CES1KMT2AGABRA1GABRA5
SCHEMBL209496 0.79 HTR5A (0.40) KMT2AGABRA1GABRA5GABRA3GABRA2
SCHEMBL5325611 0.72 TGM2 (0.48) TGM2CES1KMT2AMEN1S100A4
SCHEMBL3015932 0.69 MEN1 (0.58) TGM2CES1KMT2AMEN1S100A4
SCHEMBL211048 0.68 TGM2 (0.44) TGM2CES1KMT2AMEN1S100A4
SCHEMBL206946 0.68 HTR5A (0.37) TGM2GABRA1GABRA5GABRA3GABRA2
SCHEMBL1185219 0.68 KMT2A (0.54) TGM2CES1KMT2AGABRA1GABRA5
SCHEMBL29851230 0.68 TGM2 (0.44) TGM2CES1KMT2AMEN1S100A4
SCHEMBL6339024 0.67 MEN1 (0.47) TGM2CES1KMT2AMEN1S100A4

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 TGM2 1582/4885CES1 1905/4885KMT2A 546/4885
US-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S TGM2 4624/4885CES1 619/4885KMT2A 3061/4885
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 TGM2 4125/4885CES1 1029/4885KMT2A 3495/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R TGM2 3758/4885CES1 1444/4885KMT2A 3485/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R TGM2 3758/4885CES1 1444/4885KMT2A 3485/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R TGM2 3758/4885CES1 1444/4885KMT2A 3485/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 TGM2 669/4885CES1 3057/4885KMT2A 1453/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R TGM2 3839/4885CES1 1614/4885KMT2A 3461/4885

“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.