SCHEMBL4312145

SCHEMBL4312145

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.44
TNK2 Q07912 1/20 0.38
KIT P10721 1/20 0.38
GRM5 P41594 6/20 0.37
GRM1 Q13255 6/20 0.37
CDK9 P50750 2/20 0.37
EED O75530 2/20 0.36
RBBP4 Q09028 2/20 0.36
SUZ12 Q15022 2/20 0.36
EZH2 Q15910 2/20 0.36
CCNT1 O60563 1/20 0.35
PDK4 Q16654 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
AURKA O14965 3/20 0.35
AURKB Q96GD4 3/20 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

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
SCHEMBL4308900 0.91 HTR6 (0.46) HTR6TNK2KITGRM5GRM1
SCHEMBL4322091 0.89 AURKA (0.48) HTR6AURKAAURKBLYNIGF1R
SCHEMBL4309149 0.89 AURKA (0.39) KITPTGDR2AURKAAURKBLYN
SCHEMBL4310432 0.79 LMNA (0.38) PTGDR2AURKAAURKBLYNIGF1R
SCHEMBL16039939 0.78 HTR6 (0.51) HTR6GRM5GRM1CDK9CCNT1
SCHEMBL4311630 0.78 PTGDR2 (0.39) PTGDR2AURKAAURKBLYNIGF1R
SCHEMBL4325494 0.78 AURKB (0.53) AURKAAURKBLYNIGF1RMET
SCHEMBL4314661 0.78 ALDH1A1 (0.39) CDK9CCNT1PTGDR2METGPR119
SCHEMBL4311714 0.78 AURKA (0.45) PTGDR2AURKAAURKBLYNIGF1R
SCHEMBL4313564 0.78 AURKA (0.38) PTGDR2AURKAAURKBLYNIGF1R

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 HTR6 4070/4885TNK2 226/4885KIT 243/4885
US-20080081808-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB HTR6 4070/4885TNK2 226/4885KIT 243/4885
US-20080004308-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB HTR6 4070/4885TNK2 226/4885KIT 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 HTR6 4631/4885TNK2 640/4885KIT 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.