SCHEMBL208155

SCHEMBL208155

Brc1ccc2[c]n[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.42
METAP2 P50579 3/20 0.42
NOS1 P29475 2/20 0.42
JAK2 O60674 3/20 0.41
PDPK1 O15530 2/20 0.41
CSNK2A1 P68400 2/20 0.38
AHR P35869 2/20 0.36
PRKD3 O94806 2/20 0.33
MAP4K4 O95819 2/20 0.33
CSF1R P07333 2/20 0.33
FLT3 P36888 2/20 0.33
CLK2 P49760 2/20 0.33
MAP4K2 Q12851 2/20 0.33
NTRK3 Q16288 2/20 0.33
AURKB Q96GD4 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
DCLK1 O15075 1/20 0.33
CHEK2 O96017 1/20 0.33
FER P16591 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL206922 0.85 METAP2 (0.44) DYRK1AMETAP2NOS1JAK2PDPK1
SCHEMBL208062 0.75 MAP2K4 (0.40) METAP2AHRCDK2CDK5
SCHEMBL2435236 0.71 METAP2 (0.47) METAP2
SCHEMBL7579630 0.64 MEN1 (0.44) DYRK1AJAK2PDPK1CSNK2A1ALDH1A1
SCHEMBL207535 0.64 AHR (0.42) DYRK1AMETAP2NOS1JAK2PDPK1
SCHEMBL14485029 0.63 GPR84 (0.42) CSNK2A1AHRCYP2A6NR4A2IMPDH2
SCHEMBL558182 0.62 NOS1 (0.42) NOS1PDPK1AHRCYP2A6AXL
SCHEMBL450351 0.61
SCHEMBL154970 0.61
SCHEMBL2439787 0.60 ALDH1A1 (0.47) DYRK1AALDH1A1AXLPDGFRBPDGFRA

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 46 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-2431370-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 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-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 US disclosed
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 US disclosed
US-20060004009-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US 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
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 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
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 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 (7 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-20060004009-A1 Ethylenediamine derivatives F2, ECE1, MLLT1 DYRK1A 1427/4885METAP2 4625/4885NOS1 107/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R DYRK1A 2574/4885METAP2 4459/4885NOS1 151/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R DYRK1A 2574/4885METAP2 4459/4885NOS1 151/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R DYRK1A 2574/4885METAP2 4459/4885NOS1 151/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 DYRK1A 1167/4885METAP2 438/4885NOS1 1248/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R DYRK1A 2346/4885METAP2 4559/4885NOS1 164/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 DYRK1A 1228/4885METAP2 3907/4885NOS1 287/4885

“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.