SCHEMBL4307074

SCHEMBL4307074

Cc1ccc(S(=O)(=O)c2cnc3[nH]ccc3c2B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.35
AXL P30530 1/20 0.34
PRKCI P41743 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
MAPT P10636 3/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
COMT P21964 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CXCR5 P32302 1/20 0.33
APLNR P35414 1/20 0.33
RAB9A P51151 1/20 0.33
CCR6 P51684 1/20 0.33
GFER P55789 1/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL5531006 0.76 AXL (0.54) GRM5AXLPRKCIKMT2AMEN1
SCHEMBL15644282 0.75 CCNE2 (0.37) GRM5KMT2AMEN1ALDH1A1KDM4E
SCHEMBL16493719 0.74 MAPT (0.43) GRM5AXLPRKCIKMT2AMEN1
SCHEMBL20637901 0.73 PRKCI (0.39) AXLPRKCIJAK2JAK1RPS6KA3
SCHEMBL7032135 0.73 GRM5 (0.41) GRM5AXLPRKCIKMT2AMEN1
SCHEMBL28111978 0.72 IKBKB (0.48) AXLPRKCIKMT2AMEN1COMT
SCHEMBL30946482 0.70 AXL (0.36) AXLPRKCIJAK2JAK1
SCHEMBL1564823 0.69 PRKCI (0.43) AXLPRKCIJAK2JAK1RPS6KA3
SCHEMBL15543131 0.69 PRKCI (0.40) AXLPRKCIKMT2AMEN1JAK2
SCHEMBL27969602 0.67 IKBKB (0.49) KMT2AMEN1JAK2JAK1MAPT

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 GRM5 3331/4885AXL 1509/4885PRKCI 210/4885
US-20080081808-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB GRM5 3331/4885AXL 1509/4885PRKCI 210/4885
US-20080004308-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB GRM5 3331/4885AXL 1509/4885PRKCI 210/4885
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 GRM5 4558/4885AXL 322/4885PRKCI 174/4885

“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.