SCHEMBL4306971

SCHEMBL4306971

CC(C)(C)OC(=O)N1CCC(O)(c2cc3c(Br)ccnc3n2S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.41
MMP2 P08253 1/20 0.40
MMP13 P45452 1/20 0.40
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
PIK3CA P42336 1/20 0.38
HTR6 P50406 2/20 0.38
TGFBR1 P36897 2/20 0.38
RORC P51449 1/20 0.38
SYK P43405 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
ACHE P22303 1/20 0.36
USP30 Q70CQ3 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
NAMPT P43490 1/20 0.36
KIT P10721 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
SCHEMBL27735730 0.87 PTGDR2 (0.38) PTGDR2
SCHEMBL16041258 0.82 SYK (0.40) GPR119MMP2MMP13SYKNAMPT
SCHEMBL29774283 0.81 CCNK (0.41) GPR119MMP13PIK3CAHTR6TGFBR1
SCHEMBL20840009 0.81 CCNK (0.41) GPR119MMP13PIK3CAHTR6TGFBR1
SCHEMBL2033631 0.80 RORC (0.43) GPR119MMP2MMP13OPRD1OPRK1
SCHEMBL4318186 0.78 HTR6 (0.53) GPR119HTR6NAMPT
SCHEMBL4306946 0.77 PTGDR2 (0.37) GPR119MMP2MMP13OPRD1OPRK1
SCHEMBL2010625 0.76 RORC (0.42) GPR119MMP2MMP13OPRD1OPRK1
SCHEMBL16041073 0.75 CCNT1 (0.47)
SCHEMBL20849780 0.75 PTGDR2 (0.39) PTGDR2

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 GPR119 3387/4885MMP2 4215/4885MMP13 4111/4885
US-20080081808-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB GPR119 3387/4885MMP2 4215/4885MMP13 4111/4885
US-20080004308-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB GPR119 3387/4885MMP2 4215/4885MMP13 4111/4885
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 GPR119 2887/4885MMP2 4560/4885MMP13 4452/4885

“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.