SCHEMBL1263288

SCHEMBL1263288

N#CCN(CC#N)CCN

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.52
CYP1A2 P05177 2/20 0.40
MAPK1 P28482 1/20 0.40
LOX P28300 1/20 0.38
LOXL3 P58215 1/20 0.38
LOXL2 Q9Y4K0 1/20 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
SCHEMBL1209795 0.85
SCHEMBL20961752 0.85 LCK (0.45) LCKCYP1A2MAPK1LOXLOXL3
SCHEMBL1997212 0.81 CYP1A2 (0.48) LCKCYP1A2MAPK1
SCHEMBL11703397 0.79 LCK (0.45) LCKCYP1A2MAPK1LOXLOXL3
SCHEMBL11414953 0.78 CYP1A2 (0.46) CYP1A2MAPK1
SCHEMBL1264450 0.76 CYP2C19 (0.46) LCKCYP1A2MAPK1
SCHEMBL1264400 0.74 LCK (0.86) LCKLOXLOXL3LOXL2
SCHEMBL24530354 0.74 LCK (0.33) LCK
SCHEMBL24530340 0.74 LCK (0.37) LCK
SCHEMBL59753 0.73 CYP1A2 (0.53) CYP1A2MAPK1

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 162 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096497-B2 Process for preparing EDDN and EDMN BASF SE (DE) 2015-08-04 US claimed
US-9012638-B2 Process for preparing EDDN and/or EDMN by conversion of FACH and EDA BASF SE (DE) 2015-04-21 US claimed
US-8952156-B2 Process for working up reaction outputs from the hydrogenation of EDDN or EDMN BASF SE (DE) 2015-02-10 US claimed
US-8946459-B2 Process for preparing EDDN and/or EDMN by reacting EDFA and/or EDMFA with HCN BASF SE (DE) 2015-02-03 US claimed
US-8586795-B2 Methyl-substituted teta compounds BASF SE (DE) 2013-11-19 US claimed
EP-2443088-B1 METHYL-SUBSTITUTED TETA COMPOUNDS BASF SE (DE) 2013-08-14 EP claimed
US-20130090453-A1 Process for preparing TETA and DETA BASF SE (DE) 2013-04-11 US claimed
US-20130090452-A1 PROCESS FOR PREPARING EDDN AND/OR EDMN BY CONVERSION OF FACH AND EDA BASF SE (DE) 2013-04-11 US claimed
EP-2129651-B1 NOVEL METHOD FOR PRODUCING TETA BY MEANS OF EDDN BASF SE (DE) 2013-04-10 EP claimed
US-20130085286-A1 Unknown BASF SE (DE) 2013-04-04 US claimed
US-7880036-B2 hydrogenation of a mixture of at least two alpha-aminonitrile( e.g.ethylenediaminediacetonitrile, aminoacetonitrile ) with Raney catalyst in presence of H2 to produce ethylene amine e.g. ethylenediamine, diethylenetriamine etc. BASF SE (DE) 2011-02-01 US claimed
WO-2010146009-A1 METHYL-SUBSTITUTED TETA COMPOUNDS BASF SE (DE) 2010-12-23 WO claimed
EP-2114860-B1 PRODUCTION METHOD FOR ETHYLENEAMINE MIXTURES BASF SE (DE) 2010-09-29 EP claimed
US-20100121064-A1 NOVEL METHOD FOR PRODUCING TETA BY MEANS OF EDDN BASF SE (DE) 2010-05-13 US claimed
US-20100099872-A1 PRODUCTION METHOD FOR ETHYLENEAMINE MIXTURES BASF SE (DE) 2010-04-22 US claimed
US-20100029991-A1 METHOD FOR PRODUCING TRIETHYLENETETRAMINE BASF SE (DE) 2010-02-04 US claimed
EP-2114860-A1 PRODUCTION METHOD FOR ETHYLENEAMINE MIXTURES BASF SE (DE) 2009-11-11 EP claimed
WO-2008104552-A1 PRODUCTION METHOD FOR ETHYLENEAMINE MIXTURES BASF SE (DE) 2008-09-04 WO claimed
WO-2008104579-A1 METHOD FOR PRODUCING ETHYLENEDIAMINE DIACETONITRILE BASF SE (DE) 2008-09-04 WO claimed
EP-0085277-B1 PROCESS FOR THE PRODUCTION OF ETHYLENEDIAMINE TETRAACETIC ACID CIBA-GEIGY AG (CH) 1985-09-11 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20100099872-A1 PRODUCTION METHOD FOR ETHYLENEAMINE MIXTURES PNMT, HNMT, GNMT LCK 4151/4885CYP1A2 499/4885MAPK1 3103/4885
US-20130085286-A1 Unknown H1-4, H1-2, H1-0 LCK 3674/4885CYP1A2 497/4885MAPK1 3132/4885
US-20130090453-A1 Process for preparing TETA and DETA TET1, TET3, TET2 LCK 1694/4885CYP1A2 417/4885MAPK1 4385/4885
US-20100121064-A1 NOVEL METHOD FOR PRODUCING TETA BY MEANS OF EDDN TET1, TET3, TET2 LCK 1482/4885CYP1A2 528/4885MAPK1 4648/4885
US-20100029991-A1 METHOD FOR PRODUCING TRIETHYLENETETRAMINE TET1, TET3, TET2 LCK 1430/4885CYP1A2 195/4885MAPK1 4353/4885

“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.