Sugi Predict

Sugi Predict / Compounds / SCHEMBL4317166

SCHEMBL4317166

SCHEMBL4317166

O=[N+]([O-])c1ccc(-c2n[nH]cc2Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCC8 Q09428 1/20 0.46
▸ KCNJ11 Q14654 1/20 0.46
▸ XDH P47989 2/20 0.45
▸ NOTUM Q6P988 1/20 0.43
▸ CA12 O43570 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ CA14 Q9ULX7 2/20 0.42
▸ MAPT P10636 8/20 0.41
▸ POLB P06746 3/20 0.41
▸ MCL1 Q07820 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ APP P05067 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ CACNA1B Q00975 1/20 0.41
▸ APBA1 Q02410 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MMP2 P08253 3/20 0.40
▸ MMP9 P14780 3/20 0.40

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
SCHEMBL4213892 0.81 IDO1 (0.50) MAPTALDH1A1GFERL3MBTL1MMP13
SCHEMBL14145419 0.80 NOTUM (0.46) ABCC8KCNJ11XDHNOTUMCA12
SCHEMBL17385334 0.80 ABCC8 (0.49) ABCC8KCNJ11XDHNOTUMCA12
SCHEMBL18740712 0.77 XDH (0.45) ABCC8KCNJ11XDHNOTUMCA12
SCHEMBL29024294 0.76 VCAM1 (0.43) ABCC8KCNJ11XDHNOTUMCA12
SCHEMBL6086418 0.76 TDP1 (0.46) ABCC8KCNJ11XDHNOTUMMAPT
SCHEMBL14664065 0.74 XDH (0.58) ABCC8KCNJ11XDHNOTUMCA12
SCHEMBL13030872 0.74 ALDH1A1 (0.51) ABCC8KCNJ11XDHNOTUMMAPT
SCHEMBL3848746 0.73 ERBB2 (0.41) NOTUMPOLBL3MBTL1LMNAKMT2A
SCHEMBL6155891 0.73 PDE3B (0.39) CA12CA1CA2CA9CA14

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1063440-C Process for the desulfurization and the desalting of fossil fuels RHONE ROULENC AGROCHIMIE CORP (FR) 2001-03-21 — — CN claimed
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-20080242667-A1 Pyrimidinyl-Pyrazole Inhibitors of Aurora Kinases SMITHKLINE BEECHAM CORPORATION 2008-10-02 — — 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
EP-1917258-A2 PYRIMIDINYL-PYRAZOLE INHIBITORS OF AURORA KINASES SmithKline Beecham Corporation (US) 2008-05-07 — — EP 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
WO-2007024843-A2 PYRIMIDINYL-PYRAZOLE INHIBITORS OF AURORA KINASES SMITHKLINE BEECHAM CORPORATION (US) 2007-03-01 — — WO disclosed
CN-1063440-C Process for the desulfurization and the desalting of fossil fuels RHONE ROULENC AGROCHIMIE CORP (FR) 2001-03-21 — — CN 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 (5 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 ABCC8 3249/4885KCNJ11 1576/4885XDH 3573/4885
US-20080081808-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB ABCC8 3249/4885KCNJ11 1576/4885XDH 3573/4885
US-20080242667-A1 Pyrimidinyl-Pyrazole Inhibitors of Aurora Kinases AURKA, AURKC, PLK1 ABCC8 1520/4885KCNJ11 843/4885XDH 2659/4885
US-20080004308-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB ABCC8 3249/4885KCNJ11 1576/4885XDH 3573/4885
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 ABCC8 2178/4885KCNJ11 668/4885XDH 3398/4885

“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.