SCHEMBL4323653

SCHEMBL4323653

O=Cc1ccc(-c2cc3c(Br)cccc3n2S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.51
▸ CA2 P00918 2/20 0.51
▸ CA9 Q16790 2/20 0.51
▸ ACLY P53396 3/20 0.47
▸ HTR6 P50406 7/20 0.38
▸ SRC P12931 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PSEN1 P49768 1/20 0.37
▸ PSEN2 P49810 1/20 0.37
▸ APH1B Q8WW43 1/20 0.37
▸ NCSTN Q92542 1/20 0.37
▸ APH1A Q96BI3 1/20 0.37
▸ PSENEN Q9NZ42 1/20 0.37
▸ NAT1 P18440 1/20 0.37
▸ AGTR1 P30556 1/20 0.36
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 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
SCHEMBL4319343 0.80 CA12 (0.40) CA12CA2CA9ACLYSRC
SCHEMBL597369 0.76 HTR6 (0.46) CA12CA2CA9HTR6SRC
SCHEMBL30644289 0.76 HTR6 (0.46) CA12CA2CA9HTR6SRC
SCHEMBL4775939 0.75 HTR6 (0.51) HTR6SRCALDH1A1PSEN1PSEN2
SCHEMBL4781429 0.75 HTR6 (0.51) HTR6SRCALDH1A1PSEN1PSEN2
SCHEMBL31304851 0.75 HTR6 (0.44) CA12CA2CA9HTR6SRC
SCHEMBL3428770 0.74 HTR6 (0.46) HTR6SRCALDH1A1MAPT
SCHEMBL6117240 0.74 CA12 (0.55) CA12CA2CA9ACLYALDH1A1
SCHEMBL4309452 0.73 CA12 (0.38) CA12CA2CA9ACLYHTR6
SCHEMBL16812952 0.73 HTR6 (0.48) ACLYHTR6SRCALDH1A1MAPT

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 12 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
CN-101389324-A Azaindole inhibitors of aurora kinases SMITHKLINE BEECHAM CORP (US) 2009-03-18 — — CN 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
EP-1962830-A2 AZAINDOLE INHIBITORS OF AURORA KINASES SmithKline Beecham Corporation (US) 2008-09-03 — — EP 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
WO-2007076348-A2 AZAINDOLE INHIBITORS OF AURORA KINASES SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 — — WO 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 CA12 2111/4885CA2 1522/4885CA9 1272/4885
US-20080081808-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB CA12 2111/4885CA2 1522/4885CA9 1272/4885
US-20080004308-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB CA12 2111/4885CA2 1522/4885CA9 1272/4885
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 CA12 2839/4885CA2 924/4885CA9 1420/4885

“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.

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