SCHEMBL209238

SCHEMBL209238

N=C(N)c1ccc(C2=NO[CH]C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 4/20 0.46
PRMT1 Q99873 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TOP1 P11387 1/20 0.46
HPGD P15428 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TOP2A P11388 1/20 0.44
TOP2B Q02880 1/20 0.44
WDR5 P61964 1/20 0.44
F2 P00734 3/20 0.41
F10 P00742 1/20 0.41
LMNA P02545 1/20 0.39
MASP2 O00187 1/20 0.39
PLAU P00749 1/20 0.39
THPO P40225 1/20 0.39
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38

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
SCHEMBL27499092 0.72 NQO2 (0.46) NQO2PRMT1ALDH1A1TOP1HPGD
SCHEMBL8973288 0.70 WDR5 (0.80) NQO2PRMT1ALDH1A1TOP1HPGD
SCHEMBL394218 0.70 WDR5 (0.80) NQO2PRMT1ALDH1A1TOP1HPGD
SCHEMBL537030 0.67 LMNA (0.77) NQO2PRMT1ALDH1A1TOP1HPGD
SCHEMBL21706040 0.67 F2 (0.64) F2F10ITGB3ITGA2BPRSS1
Hydrochloric Acid SCHEMBL30999366 0.65 PRSS1 (0.78) PRMT1ALDH1A1HPGDHSD17B10TOP2A
Hydrochloric Acid SCHEMBL392375 0.65 PRSS1 (0.78) PRMT1ALDH1A1HPGDHSD17B10TOP2A
SCHEMBL7354665 0.64 NQO2 (0.48) NQO2PRMT1ALDH1A1TOP1HPGD
SCHEMBL25090641 0.63 WDR5 (0.61) NQO2PRMT1ALDH1A1TOP1HPGD
SCHEMBL397363 0.63 WDR5 (0.56) NQO2PRMT1ALDH1A1TOP1HPGD

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 27 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-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
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
EP-0730590-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-11 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 NQO2 2760/4885PRMT1 579/4885ALDH1A1 4310/4885
US-20090270446-A1 DIAMINE DERIVATIVES F2, TFPI, F3 NQO2 665/4885PRMT1 268/4885ALDH1A1 793/4885
US-20090239857-A1 TRIAMINE DERIVATIVE F2, F12, F3 NQO2 1866/4885PRMT1 814/4885ALDH1A1 1780/4885
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL NQO2 2616/4885PRMT1 1716/4885ALDH1A1 3214/4885
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 NQO2 1237/4885PRMT1 799/4885ALDH1A1 3430/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R NQO2 770/4885PRMT1 368/4885ALDH1A1 3319/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R NQO2 770/4885PRMT1 368/4885ALDH1A1 3319/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R NQO2 849/4885PRMT1 303/4885ALDH1A1 3529/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 NQO2 1178/4885PRMT1 245/4885ALDH1A1 3454/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R NQO2 770/4885PRMT1 368/4885ALDH1A1 3319/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 NQO2 665/4885PRMT1 268/4885ALDH1A1 793/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R NQO2 894/4885PRMT1 445/4885ALDH1A1 3734/4885

“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.