SCHEMBL2897002

SCHEMBL2897002

COC(=O)c1ccncc1-c1cccc(N)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.56
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 1/20 0.56
GLA P06280 1/20 0.56
CFTR P13569 1/20 0.49
CYP11B2 P19099 2/20 0.47
MEN1 O00255 2/20 0.45
PSIP1 O75475 1/20 0.45
AXL P30530 1/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
FGFR1 P11362 1/20 0.45
SRC P12931 1/20 0.45
FGFR2 P21802 1/20 0.45
FGFR4 P22455 1/20 0.45
FGFR3 P22607 1/20 0.45
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP46A1 Q9Y6A2 1/20 0.44

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
SCHEMBL6432453 0.86 SMN1; SMN2 (0.54) GAAALDH1A1KDM4EMEN1PSIP1
SCHEMBL31083328 0.85 ALDH1A1 (0.50) GAAALDH1A1KDM4EGLACFTR
SCHEMBL964722 0.84 HSD17B10 (0.49) GAAALDH1A1KDM4EGLACFTR
SCHEMBL21056695 0.82 KIF11 (0.49) GAAALDH1A1KDM4EGLACFTR
SCHEMBL29441687 0.81 SLC6A3 (0.61) GAAALDH1A1CFTRMEN1MAPT
SCHEMBL3920552 0.81 SLC6A3 (0.61) GAAALDH1A1CFTRMEN1MAPT
SCHEMBL2898125 0.80 SLC6A4 (0.51) GAAALDH1A1KDM4EGLAMEN1
SCHEMBL31325674 0.79 KDM4E (0.57) GAAALDH1A1KDM4EGLACFTR
SCHEMBL21056912 0.76 ALDH1A1 (0.53) GAAALDH1A1KDM4EGLACFTR
SCHEMBL28409137 0.76 GAA (0.50) GAAALDH1A1KDM4ECFTRMEN1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1366016-B1 PROCESS FOR THE PREPARATION OF ARYLETHANOLDIAMINES USEFUL AS AGONISTS OF THE BETA-3-ADRENOCEPTOR GLAXO GROUP LTD (GB) 2010-08-25 EP disclosed
EP-1366016-B1 PROCESS FOR THE PREPARATION OF ARYLETHANOLDIAMINES USEFUL AS AGONISTS OF THE BETA-3-ADRENOCEPTOR GLAXO GROUP LTD (GB) 2010-08-25 EP disclosed
US-7709677-B2 e.g.3-{3-[(2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}ethyl)amino]phenyl}isonicotinic acid ; useful as agonists at atypical beta-adrenoceptors; treatment of hyperglycaemia, animal growth promoters, blood platelet aggregation inhibitors, as positive inotropic agents and antiatherosclerotic agent GLAXOSMITHKLINE LLC (US) 2010-05-04 US disclosed
US-7709677-B2 e.g.3-{3-[(2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}ethyl)amino]phenyl}isonicotinic acid ; useful as agonists at atypical beta-adrenoceptors; treatment of hyperglycaemia, animal growth promoters, blood platelet aggregation inhibitors, as positive inotropic agents and antiatherosclerotic agent GLAXOSMITHKLINE LLC (US) 2010-05-04 US disclosed
US-7709677-B2 e.g.3-{3-[(2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}ethyl)amino]phenyl}isonicotinic acid ; useful as agonists at atypical beta-adrenoceptors; treatment of hyperglycaemia, animal growth promoters, blood platelet aggregation inhibitors, as positive inotropic agents and antiatherosclerotic agent GLAXOSMITHKLINE LLC (US) 2010-05-04 US disclosed
US-20080306278-A1 PROCESS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 US disclosed
US-20080306278-A1 PROCESS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 US disclosed
US-20080306278-A1 PROCESS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 US disclosed
US-7425639-B2 For preparing arylethanoldiamines which are agonists of beta-adrenoceptors; fewer steps, the regioselectivity of epoxide opening is highly selective; novel chemical intermediates SMITHKLINE BEECHAM CORPORATION (US) 2008-09-16 US disclosed
US-7425639-B2 For preparing arylethanoldiamines which are agonists of beta-adrenoceptors; fewer steps, the regioselectivity of epoxide opening is highly selective; novel chemical intermediates SMITHKLINE BEECHAM CORPORATION (US) 2008-09-16 US disclosed
US-20040077868-A1 For preparing arylethanoldiamines which are agonists of beta-adrenoceptors; fewer steps, the regioselectivity of epoxide opening is highly selective; novel chemical intermediates B3AR THERAPEUTICS, INC. 2004-04-22 US disclosed
EP-1366016-A2 PROCESS FOR THE PREPARATION OF ARYLETHANOLDIAMINES USEFUL AS AGONISTS OF THE BETA-3-ADRENOCEPTOR GLAXO GROUP LIMITED (GB) 2003-12-03 EP disclosed
WO-2002066418-A2 PROCESS FOR THE PREPARATION OF ARYLETHANOLDIAMINES USEFUL AS AGONISTS OF THE BETA-3-ADRENOCEPTOR GLAXO GROUP LIMITED (GB) 2002-08-29 WO disclosed
WO-2001042217-A1 BETA-3 ADRENOCEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2001-06-14 WO 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-20040077868-A1 For preparing arylethanoldiamines which are agonists of beta-adrenoceptors; fewer steps, the regioselectivity of epoxide opening is highly selective; novel chemical intermediates ADRB3, ADRB2, ADRB1 GAA 3024/4885ALDH1A1 248/4885KDM4E 1116/4885
US-20080306278-A1 PROCESS ADRB3, ADRA1D, ADRB1 GAA 1528/4885ALDH1A1 459/4885KDM4E 1778/4885

“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.