SCHEMBL4311630

SCHEMBL4311630

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.39
AURKB Q96GD4 13/20 0.39
AURKA O14965 12/20 0.39
INCENP Q9NQS7 2/20 0.38
LYN P07948 1/20 0.38
IGF1R P08069 1/20 0.38
MET P08581 1/20 0.38
ROCK1 Q13464 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AR P10275 1/20 0.36
BRAF P15056 3/20 0.36
ALDH1A1 P00352 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
SCHEMBL4309081 0.94 AURKA (0.37) PTGDR2AURKBAURKAINCENPLYN
SCHEMBL14160561 0.93 ALDH1A1 (0.40) PTGDR2AURKBAURKAINCENPLYN
SCHEMBL4317104 0.93 AURKA (0.39) PTGDR2AURKBAURKAINCENPLYN
SCHEMBL4309041 0.90 PTGDR2 (0.41) PTGDR2AURKBAURKAINCENPLYN
SCHEMBL4314165 0.90 PTGDR2 (0.41) PTGDR2METMEN1LMNAPKM
SCHEMBL4306850 0.90 AURKA (0.37) PTGDR2AURKBAURKAINCENPLYN
SCHEMBL4307030 0.90 AURKA (0.38) PTGDR2AURKBAURKAINCENPLYN
SCHEMBL4310432 0.89 LMNA (0.38) PTGDR2AURKBAURKAINCENPLYN
SCHEMBL4310435 0.89 AURKB (0.48) PTGDR2AURKBAURKAINCENPLYN
SCHEMBL4312359 0.89 SMN1; SMN2 (0.38) PTGDR2METMEN1LMNAPKM

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 9 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-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 PTGDR2 4533/4885AURKB 3/4885AURKA 1/4885
US-20080081808-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB PTGDR2 4533/4885AURKB 3/4885AURKA 1/4885
US-20080004308-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB PTGDR2 4533/4885AURKB 3/4885AURKA 1/4885
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 PTGDR2 4446/4885AURKB 3/4885AURKA 1/4885

“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.