SCHEMBL4309149

SCHEMBL4309149

CCn1cc(-c2ccnc3c2cc(C2=CCN(C(=O)N4CCOCC4)CC2)n3S(=O)(=O)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AURKA O14965 13/20 0.39
AURKB Q96GD4 13/20 0.39
KIT P10721 5/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.35
LYN P07948 1/20 0.35
IGF1R P08069 1/20 0.35
MET P08581 1/20 0.35
ROCK1 Q13464 1/20 0.35
INCENP Q9NQS7 1/20 0.35
NOD2 Q9HC29 1/20 0.35
NOD1 Q9Y239 1/20 0.35

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
SCHEMBL4312145 0.89 HTR6 (0.44) AURKAAURKBKITPTGDR2LYN
SCHEMBL14796900 0.85 KIT (0.38) AURKAAURKBKIT
SCHEMBL4315049 0.83 AURKA (0.51) AURKAAURKBNOD2NOD1
SCHEMBL4311332 0.81 AURKA (0.53) AURKAAURKBINCENPNOD2NOD1
SCHEMBL4308900 0.80 HTR6 (0.46) AURKAAURKBKITLYNIGF1R
SCHEMBL4311630 0.79 PTGDR2 (0.39) AURKAAURKBPTGDR2LYNIGF1R
SCHEMBL4325494 0.79 AURKB (0.53) AURKAAURKBLYNIGF1RMET
SCHEMBL4311714 0.78 AURKA (0.45) AURKAAURKBPTGDR2LYNIGF1R
SCHEMBL4316715 0.78 AURKA (0.41) AURKAAURKBPTGDR2LYNIGF1R
SCHEMBL4322091 0.78 AURKA (0.48) AURKAAURKBLYNIGF1RMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 AURKA 1/4885AURKB 3/4885KIT 243/4885
US-20080081808-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB AURKA 1/4885AURKB 3/4885KIT 243/4885
US-20080004308-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB AURKA 1/4885AURKB 3/4885KIT 243/4885
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 AURKA 1/4885AURKB 3/4885KIT 170/4885

“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.