SCHEMBL208239

SCHEMBL208239

Brc1ccc2c(c1)CC[CH]N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 6/20 0.40
ASIC3 Q9UHC3 1/20 0.40
BRD4 O60885 1/20 0.39
PARP10 Q53GL7 2/20 0.37
PARP11 Q9NR21 1/20 0.37
AHR P35869 2/20 0.35
CMA1 P23946 1/20 0.35
ADRA2A P08913 3/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
TDP2 O95551 1/20 0.33
PARP1 P09874 1/20 0.33
SRD5A1 P18405 1/20 0.33
SRD5A2 P31213 1/20 0.33
TGM2 P21980 1/20 0.32
CES1 P23141 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
CHEK2 O96017 1/20 0.32

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
SCHEMBL208136 0.84 PNMT (0.44) PNMTASIC3PARP10AHRCMA1
SCHEMBL2503441 0.76 HTR5A (0.39) PARP10PARP11ADRA2APARP1
SCHEMBL208741 0.76 AHR (0.43) PNMTPARP10AHRCMA1ADRA2A
SCHEMBL7214466 0.74 BRD4 (0.52) PNMTASIC3BRD4PARP10PARP11
SCHEMBL10815 0.71 DRD2 (0.59) PNMTASIC3BRD4PARP10PARP11
SCHEMBL20477944 0.70 NPC1 (0.43) PNMTAHRHTR2C
Hydrochloric Acid SCHEMBL31432826 0.69 DRD2 (0.57) PNMTASIC3BRD4PARP10PARP11
SCHEMBL1556861 0.68 MAPT (0.54) PNMTASIC3BRD4PARP10PARP11
SCHEMBL8162013 0.67 MAPT (0.53) PNMTASIC3BRD4AHR
SCHEMBL2616890 0.67 CYP1A2 (0.49) PNMTASIC3BRD4PARP10PARP11

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 PNMT 763/4885ASIC3 292/4885BRD4 354/4885
US-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S PNMT 3174/4885ASIC3 1670/4885BRD4 346/4885
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 PNMT 4070/4885ASIC3 2732/4885BRD4 426/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R PNMT 3340/4885ASIC3 2084/4885BRD4 452/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R PNMT 3340/4885ASIC3 2084/4885BRD4 452/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R PNMT 3340/4885ASIC3 2084/4885BRD4 452/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 PNMT 1792/4885ASIC3 999/4885BRD4 1102/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R PNMT 3441/4885ASIC3 2197/4885BRD4 481/4885

“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.