SCHEMBL209629

SCHEMBL209629

O=C1CN[N]c2ccc(F)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.38
PARP10 Q53GL7 1/20 0.38
FABP6 P51161 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
ACHE P22303 1/20 0.34
SRD5A1 P18405 1/20 0.33
TYMS P04818 2/20 0.33
KDM4E B2RXH2 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
LRRK2 Q5S007 1/20 0.31
USP8 P40818 1/20 0.31
USP7 Q93009 1/20 0.31
USP47 Q96K76 1/20 0.31
IDO1 P14902 1/20 0.31
DAO P14920 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31

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
SCHEMBL207108 0.86 PARP1 (0.38) PARP1PARP10CA1CA2CA7
SCHEMBL208848 0.79 PPOX (0.40) PARP1PARP10TYMSLRRK2GABRA1
SCHEMBL210200 0.79 S100A4 (0.39) PARP1PARP10CA1CA2CA7
SCHEMBL207385 0.75 TYMS (0.36) CA1CA2CA9TYMSGABRA1
SCHEMBL19160429 0.69 CA1 (0.35) PARP1PARP10FABP6CA1CA2
SCHEMBL207295 0.68 PARP10 (0.41) PARP1PARP10CA1CA2CA7
SCHEMBL208639 0.68 PPOX (0.40) PARP1PARP10SRD5A1TYMSPDE3B
SCHEMBL207153 0.65 TYMS (0.36) CA1CA2CA9TYMSGABRA1
SCHEMBL31490586 0.65 RXFP1 (0.44) PDE3BPDE3A
SCHEMBL9179697 0.64 PARK7 (0.36) PARP1PARP10CA1CA2CA7

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 PARP1 1557/4885PARP10 1379/4885FABP6 2790/4885
US-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S PARP1 1843/4885PARP10 1689/4885FABP6 4010/4885
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 PARP1 1270/4885PARP10 1082/4885FABP6 4161/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R PARP1 816/4885PARP10 655/4885FABP6 3272/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R PARP1 816/4885PARP10 655/4885FABP6 3272/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R PARP1 816/4885PARP10 655/4885FABP6 3272/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 PARP1 372/4885PARP10 385/4885FABP6 3613/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R PARP1 960/4885PARP10 770/4885FABP6 3115/4885

“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.