SCHEMBL4316670

SCHEMBL4316670

CCNC(=O)Nc1ccc(-c2nc(C)sc2-c2ccnc3[nH]ccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 9/20 0.54
AURKA O14965 8/20 0.54
INCENP Q9NQS7 2/20 0.52
LYN P07948 1/20 0.52
IGF1R P08069 1/20 0.52
MET P08581 1/20 0.52
ROCK1 Q13464 1/20 0.52
JAK1 P23458 1/20 0.50
CIT O14578 9/20 0.48
KIT P10721 1/20 0.48

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
SCHEMBL4316865 0.88 AURKA (0.61) AURKBAURKAINCENPLYNIGF1R
SCHEMBL30009459 0.84 CIT (0.64) AURKBAURKAJAK1CIT
SCHEMBL4325974 0.84 AURKB (0.61) AURKBAURKAINCENPLYNIGF1R
SCHEMBL14492821 0.83 CIT (0.45) AURKBAURKAINCENPLYNIGF1R
SCHEMBL4312212 0.82 CIT (0.52) AURKBAURKAINCENPLYNIGF1R
SCHEMBL4316896 0.82 AURKB (0.53) AURKBAURKAINCENPLYNIGF1R
SCHEMBL4307065 0.78 AURKB (0.83) AURKBAURKAINCENPLYNIGF1R
SCHEMBL4305110 0.76 GAA (0.40) AURKBAURKAKIT
SCHEMBL30009442 0.76 CIT (0.62) AURKBAURKAINCENPLYNIGF1R
SCHEMBL27756353 0.76 ROCK1 (0.46) AURKBAURKAINCENPIGF1RROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1962830-B1 AZAINDOLE INHIBITORS OF AURORA KINASES GLAXOSMITHKLINE LLC (US) 2013-03-27 EP disclosed
US-7605266-B2 Azaindole inhibitors of Aurora kinases SMITHKLINE BEECHAM (US) 2009-10-20 US disclosed
US-7605266-B2 Azaindole inhibitors of Aurora kinases SMITHKLINE BEECHAM (US) 2009-10-20 US disclosed
US-7605266-B2 Azaindole inhibitors of Aurora kinases SMITHKLINE BEECHAM (US) 2009-10-20 US disclosed
US-7495102-B2 Azaindole inhibitors of aurora kinases SMITHKLINE BEECHAM CORPORATION (US) 2009-02-24 US disclosed
US-20080306120-A1 Treating a solid tumor cancer and a hematological cancer by administering N'-{4-[4-(2-{3-[(dimethylamino)methyl]phenyl}-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethyl-1H-pyrazol-3-yl]phenyl}-N,N-dimethylurea; antitumor, -carcinogenic, proliferative agents; antiinflammatory agents; autoimmune diseases; fungicides GLAXOSMITHKLINE LLC 2008-12-11 US disclosed
US-20080306120-A1 Treating a solid tumor cancer and a hematological cancer by administering N'-{4-[4-(2-{3-[(dimethylamino)methyl]phenyl}-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethyl-1H-pyrazol-3-yl]phenyl}-N,N-dimethylurea; antitumor, -carcinogenic, proliferative agents; antiinflammatory agents; autoimmune diseases; fungicides GLAXOSMITHKLINE LLC 2008-12-11 US disclosed
US-20080306120-A1 Treating a solid tumor cancer and a hematological cancer by administering N'-{4-[4-(2-{3-[(dimethylamino)methyl]phenyl}-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethyl-1H-pyrazol-3-yl]phenyl}-N,N-dimethylurea; antitumor, -carcinogenic, proliferative agents; antiinflammatory agents; autoimmune diseases; fungicides GLAXOSMITHKLINE LLC 2008-12-11 US disclosed
US-7419988-B2 Azaindole inhibitors of aurora kinases SMITHKLINE BEECHAM CORP (US) 2008-09-02 US disclosed
US-7419988-B2 Azaindole inhibitors of aurora kinases SMITHKLINE BEECHAM CORP (US) 2008-09-02 US disclosed
US-7419988-B2 Azaindole inhibitors of aurora kinases SMITHKLINE BEECHAM CORP (US) 2008-09-02 US disclosed
US-20080081808-A1 AZAINDOLE INHIBITORS OF AURORA KINASES SMITHKLINE BEECHAM CORPORATION 2008-04-03 US disclosed
US-20080004308-A1 AZAINDOLE INHIBITORS OF AURORA KINASES GLAXOSMITHKLINE LLC 2008-01-03 US disclosed
US-20080004308-A1 AZAINDOLE INHIBITORS OF AURORA KINASES GLAXOSMITHKLINE LLC 2008-01-03 US disclosed
US-20080004308-A1 AZAINDOLE INHIBITORS OF AURORA KINASES GLAXOSMITHKLINE LLC 2008-01-03 US disclosed
US-7282588-B2 Azaindole inhibitors of aurora kinases SMITHKLINE BEECHAM (US) 2007-10-16 US disclosed
US-7282588-B2 Azaindole inhibitors of aurora kinases SMITHKLINE BEECHAM (US) 2007-10-16 US disclosed
US-7282588-B2 Azaindole inhibitors of aurora kinases SMITHKLINE BEECHAM (US) 2007-10-16 US disclosed
US-20070149561-A1 AZAINDOLE INHIBITORS OF AURORA KINASES GLAXOSMITHKLINE LLC 2007-06-28 US 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-20070149561-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB AURKB 3/4885AURKA 1/4885INCENP 166/4885
US-20080081808-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB AURKB 3/4885AURKA 1/4885INCENP 166/4885
US-20080004308-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB AURKB 3/4885AURKA 1/4885INCENP 166/4885
US-20080306120-A1 Treating a solid tumor cancer and a hematological cancer by administering N'-{4-[4-(2-{3-[(dimethylamino)methyl]phenyl}-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethyl-1H-pyrazol-3-yl]phenyl}-N,N-dimethylurea; antitumor, -carcinogenic, proliferative agents; antiinflammatory agents; autoimmune diseases; fungicides AURKA, AURKC, AURKB AURKB 3/4885AURKA 1/4885INCENP 646/4885

“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.