SCHEMBL208564

SCHEMBL208564

O=C1[N]CCCc2sccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.50
NOS2 P35228 1/20 0.43
PLK4 O00444 1/20 0.35
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35
PIM1 P11309 1/20 0.35
PDGFRA P16234 1/20 0.35
PRKACA P17612 1/20 0.35
LTK P29376 1/20 0.35
GRK5 P34947 1/20 0.35
KDR P35968 1/20 0.35
MAP2K2 P36507 1/20 0.35
FLT3 P36888 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
CSNK1A1 P48729 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
SCHEMBL3872610 0.88 NOS2 (0.50) USP2NOS2PLK4CHEK1AURKA
SCHEMBL3147129 0.75 USP2 (0.52) USP2NOS2PLK4CHEK1AURKA
SCHEMBL153954 0.71 USP2 (0.47) USP2NOS2PLK4CHEK1AURKA
SCHEMBL2842773 0.69 USP2 (0.37) USP2NOS2
SCHEMBL8195065 0.69 NOS2 (0.79) USP2NOS2PLK4CHEK1AURKA
SCHEMBL9038503 0.68 USP2 (0.44) USP2NOS2PLK4CHEK1AURKA
SCHEMBL15219995 0.68 CES1 (0.50) USP2NOS2PLK4CHEK1AURKA
SCHEMBL519093 0.67 MAOA (0.53) NOS2CES1CYP19A1ALDH1A1HPGD
SCHEMBL17225453 0.66 USP2 (0.50) USP2NOS2PLK4CHEK1AURKA
SCHEMBL1747122 0.66

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 24 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
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
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-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20100093785-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 US disclosed
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM DAIICHI PHARMACEUTICAL CO., LTD (JP) 2009-11-12 US disclosed
US-20090270446-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-10-29 US disclosed
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US disclosed
US-7342014-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-11 US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 US disclosed
EP-1864982-A1 TRIAMINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 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-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 (12 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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S USP2 3130/4885NOS2 546/4885PLK4 3290/4885
US-20090270446-A1 DIAMINE DERIVATIVES F2, TFPI, F3 USP2 3114/4885NOS2 903/4885PLK4 4626/4885
US-20090239857-A1 TRIAMINE DERIVATIVE F2, F12, F3 USP2 4620/4885NOS2 743/4885PLK4 2517/4885
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL USP2 3806/4885NOS2 2279/4885PLK4 2940/4885
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 USP2 3813/4885NOS2 849/4885PLK4 4126/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R USP2 3878/4885NOS2 433/4885PLK4 3569/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R USP2 3878/4885NOS2 433/4885PLK4 3569/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R USP2 4035/4885NOS2 392/4885PLK4 3880/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 USP2 2807/4885NOS2 957/4885PLK4 4411/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R USP2 3878/4885NOS2 433/4885PLK4 3569/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 USP2 3114/4885NOS2 903/4885PLK4 4626/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R USP2 4019/4885NOS2 501/4885PLK4 3638/4885

“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.