SCHEMBL206868

SCHEMBL206868

Brc1ccc2c(c1)N=C[N]2

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.32
ALOX15 P16050 1/20 0.31
AHR P35869 1/20 0.31
TRPA1 O75762 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
BACE1 P56817 1/20 0.30
HSP90AA1 P07900 1/20 0.30
TLR9 Q9NR96 1/20 0.30
S100A4 P26447 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL207931 0.91 CYP2A6 (0.32) CYP2A6ALOX15AHRTRPA1NOS3
SCHEMBL209366 0.73 S100A4 (0.42) HSP90AA1TLR9S100A4
SCHEMBL208048 0.73 S100A4 (0.42) HSP90AA1TLR9S100A4MAPK1TDP1
SCHEMBL22028030 0.71 CYP3A4 (0.38) ALOX15ALDH1A1TDP1
SCHEMBL3651489 0.67 METAP2 (0.39) NOS3NOS1NOS2BACE1
SCHEMBL209193 0.66 AHR (0.40) AHR
SCHEMBL2863 0.66
SCHEMBL5744139 0.64 TSHR (0.48) S100A4ALDH1A1MAPK1TDP1
SCHEMBL3103046 0.63 NQO2 (0.39) CYP2A6ALOX15ALDH1A1MAPK1TDP1
SCHEMBL23233885 0.63

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 54 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
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
US-5360700-A Single stabilizing step, magenta and cyan couplers, ferric salt of organic acid KONICA CORPORATION (JP) 1994-11-01 US disclosed
US-5091293-A High speed, storage stability FUJI PHOTO FILM CO., LTD. (JP) 1992-02-25 US disclosed
US-4952485-A HIGH PHOTOSENSITIVITY FUJI PHOTO FILM CO., LTD. (JP) 1990-08-28 US disclosed
US-4880725-A INTENSIFIED DEVELOPMENT FUJI PHOTO FILM CO., LTD. (JP) 1989-11-14 US disclosed
US-4840877-A MAGNETA DYE FORMING COUPLER FUJI PHOTO FILM CO., LTD. (JP) 1989-06-20 US disclosed
US-4820623-A LAYER CONTAINING MAGENTA PYRAZOLE DYE-FORMING COUPLER AND A NONDIFFUSING CARBOXYLIC ACID OR SALT; ANTISOILANTS; NONSETTLING; EFFICIENT AUTOMATIC DEVELOPMENT FUJI PHOTO FILM CO., LTD. (JP) 1989-04-11 US disclosed
US-4791048-A Color image forming process utilizing substantially water-insoluble basic metal compounds and complexing compounds FUJI PHOTO FILM CO., LTD. (JP) 1988-12-13 US 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 (2 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-20110077266-A1 Diamine Derivatives F2, TFPI, F3 CYP2A6 2519/4885ALOX15 3326/4885AHR 3066/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R CYP2A6 2464/4885ALOX15 824/4885AHR 2824/4885

“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.