SCHEMBL208639

SCHEMBL208639

O=C1CN[N]c2cc(Cl)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPOX P50336 1/20 0.40
S100A4 P26447 2/20 0.39
METAP1 P53582 1/20 0.39
F7 P08709 1/20 0.38
PARP1 P09874 1/20 0.38
F3 P13726 1/20 0.38
PARP10 Q53GL7 1/20 0.38
CES1 P23141 2/20 0.37
SRD5A1 P18405 1/20 0.36
AHR P35869 2/20 0.36
CMA1 P23946 1/20 0.36
JAK2 O60674 1/20 0.36
NTRK1 P04629 1/20 0.36
MET P08581 1/20 0.36
FGFR1 P11362 1/20 0.36
PRKACA P17612 1/20 0.36
KDR P35968 1/20 0.36
MAP2K2 P36507 1/20 0.36
FLT3 P36888 1/20 0.36
GSK3B P49841 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
SCHEMBL208848 0.86 PPOX (0.40) PPOXS100A4F7PARP1F3
SCHEMBL207108 0.79 PARP1 (0.38) PARP1PARP10SRD5A1TYMSTDP2
SCHEMBL798135 0.70 PNMT (0.47) PPOXS100A4METAP1F7PARP1
SCHEMBL5636813 0.69 S100A4 (0.41) PPOXS100A4METAP1F7PARP1
SCHEMBL31239363 0.68 CES1 (0.48) PPOXS100A4METAP1F7PARP1
SCHEMBL210200 0.68 S100A4 (0.39) S100A4PARP1PARP10CES1AHR
SCHEMBL24699612 0.67 F7 (0.47) PPOXS100A4METAP1F7PARP1
SCHEMBL12951448 0.67 HPGD (0.39) PPOXS100A4METAP1VHLELOC
SCHEMBL207385 0.65 TYMS (0.36) TYMS
SCHEMBL9477764 0.64 NTRK1 (0.59) PPOXS100A4METAP1F7PARP1

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 PPOX 113/4885S100A4 746/4885METAP1 1030/4885
US-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S PPOX 4817/4885S100A4 3704/4885METAP1 4275/4885
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 PPOX 4128/4885S100A4 3658/4885METAP1 2577/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R PPOX 4426/4885S100A4 3417/4885METAP1 3722/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R PPOX 4426/4885S100A4 3417/4885METAP1 3722/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R PPOX 4426/4885S100A4 3417/4885METAP1 3722/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 PPOX 300/4885S100A4 2394/4885METAP1 285/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R PPOX 4436/4885S100A4 3348/4885METAP1 3905/4885

“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.