SCHEMBL991309

SCHEMBL991309

CN1CCN(c2cc(CC(N)=O)ccn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 3/20 0.49
DYRK1A Q13627 3/20 0.49
GSK3B P49841 2/20 0.49
CLK2 P49760 1/20 0.49
CLK3 P49761 1/20 0.49
HRH4 Q9H3N8 4/20 0.49
HRH3 Q9Y5N1 2/20 0.46
AOC3 Q16853 1/20 0.46
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KLKB1 P03952 1/20 0.44
KLK1 P06870 1/20 0.44
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
RAD52 P43351 1/20 0.42
UBE2N P61088 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41

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
SCHEMBL2370426 0.87 HRH4 (0.50) WNT1DYRK1AGSK3BCLK2CLK3
SCHEMBL2370598 0.85 KDM4E (0.58) WNT1DYRK1AGSK3BCLK2CLK3
SCHEMBL2370510 0.84 WNT1 (0.50) WNT1DYRK1AGSK3BCLK2CLK3
SCHEMBL23048717 0.81 HRH4 (0.55) WNT1DYRK1AGSK3BCLK2CLK3
SCHEMBL990733 0.81 WNT1 (0.46) WNT1DYRK1AGSK3BCLK2CLK3
SCHEMBL12503866 0.79 HRH4 (0.56) HRH4HRH3KDM4EALDH1A1HSD17B10
SCHEMBL7887377 0.78 KDM4E (0.55) WNT1DYRK1AGSK3BCLK2CLK3
SCHEMBL23048736 0.78 HRH4 (0.52) WNT1DYRK1AGSK3BCLK2CLK3
SCHEMBL568726 0.77 HRH4 (0.46) WNT1DYRK1AGSK3BCLK2CLK3
SCHEMBL24507651 0.77 HRH4 (0.54) HRH4HRH3AOC3KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2015-10-01 US disclosed
US-9067888-B2 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2015-06-30 US disclosed
CN-102834380-B Inhibitors of protein kinases ASTRAZENECA 2015-04-01 CN disclosed
US-20130345233-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2013-12-26 US disclosed
US-8518948-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-08-27 US disclosed
EP-2545037-A1 INHIBITORS OF PROTEIN KINASES Ingenium Pharmaceuticals GmbH (DE) 2013-01-16 EP disclosed
EP-1745037-B1 Indolylmaleimide derivatives as inhibitors for the treatment of graft rejection or autoimmune diseases NOVARTIS AG (CH) 2013-01-02 EP disclosed
CN-102834380-A Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH 2012-12-19 CN disclosed
US-20110224225-A1 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2011-09-15 US disclosed
WO-2011110612-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2011-09-15 WO disclosed
EP-2270001-A1 Indolylmaleimide derivatives as PKC inhibitors Novartis AG (CH) 2011-01-05 EP disclosed
US-7648989-B2 Indolylmaleimide derivatives as PKC inhibitors NOVARTIS AG (CH) 2010-01-19 US disclosed
US-20080242675-A1 Indolylmaleimide Derivatives as Pkc Inhibitors NOVARTIS AG (CH) 2008-10-02 US disclosed
EP-1745037-A1 INDOLYLMALEIMIDE DERIVATIVES AS PKC INHIBITORS Novartis AG (CH) 2007-01-24 EP disclosed
WO-2005068455-A1 INDOLYLMALEIMDE DERIVATIVES AS PKC INHIBITORS NOVARTIS AG (CH) 2005-07-28 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 (4 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-20130345233-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 WNT1 753/4885DYRK1A 494/4885GSK3B 25/4885
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 WNT1 753/4885DYRK1A 494/4885GSK3B 25/4885
US-20080242675-A1 Indolylmaleimide Derivatives as Pkc Inhibitors PRKCE, PRKCH, PRKCI WNT1 2335/4885DYRK1A 475/4885GSK3B 100/4885
US-20110224225-A1 Inhibitors of protein kinases CDK1, CDK2, CDK3 WNT1 753/4885DYRK1A 494/4885GSK3B 25/4885

“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.