SCHEMBL209496

SCHEMBL209496

O=C1C[N]Nc2ccc(F)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 4/20 0.40
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
PARP1 P09874 1/20 0.38
PARP10 Q53GL7 1/20 0.38
LRRK2 Q5S007 3/20 0.37
AURKA O14965 1/20 0.36
CHEK2 O96017 1/20 0.36
CDK1 P06493 1/20 0.36
PIM1 P11309 1/20 0.36
FGFR1 P11362 1/20 0.36
CDK2 P24941 1/20 0.36
MARK3 P27448 1/20 0.36
CSNK2A1 P68400 1/20 0.36
MARK2 Q7KZI7 1/20 0.36
CYP1A2 P05177 1/20 0.35

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
SCHEMBL206946 0.86 HTR5A (0.37) HTR5AGABRA1GABRG2GABRB3GABRA5
SCHEMBL211653 0.79 CES1 (0.44) HTR5AGABRA1GABRG2GABRB3GABRA5
SCHEMBL208247 0.79 TGM2 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL23326172 0.69 PDE3B (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL11149678 0.69 MEN1 (0.58) PARP1PARP10LRRK2CDK2CYP1A2
SCHEMBL208827 0.68 PARP1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29851201 0.68 MAPT (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1186060 0.68 SRD5A1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL210573 0.68 CMA1 (0.40) GABRA1GABRA5GABRA3GABRA2PARP1
SCHEMBL11724231 0.67 ACHE (0.47) MAPTACHE

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 HTR5A 1053/4885GABRA1 2891/4885GABRG2 2503/4885
US-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S HTR5A 2711/4885GABRA1 2126/4885GABRG2 3411/4885
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 HTR5A 2228/4885GABRA1 1201/4885GABRG2 2535/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R HTR5A 1546/4885GABRA1 1632/4885GABRG2 2867/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R HTR5A 1546/4885GABRA1 1632/4885GABRG2 2867/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R HTR5A 1546/4885GABRA1 1632/4885GABRG2 2867/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 HTR5A 2122/4885GABRA1 2320/4885GABRG2 2592/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R HTR5A 1505/4885GABRA1 1877/4885GABRG2 3057/4885

“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.