SCHEMBL4319645

SCHEMBL4319645

Cn1cc(Br)c(-c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
THRB P10828 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTGS2 P35354 1/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 3/20 0.41
MBD2 Q9UBB5 1/20 0.41
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
RXFP1 Q9HBX9 1/20 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
SCHEMBL4325502 0.82 KMT2A (0.40) MAPTKMT2AMEN1THRBL3MBTL1
SCHEMBL17385337 0.81 MAPT (0.48) MAPTADORA3ADORA2AKMT2AMEN1
SCHEMBL4313628 0.81 ABCC8 (0.41) MAPTKMT2AMEN1THRBL3MBTL1
SCHEMBL4309279 0.81 APOBEC3G (0.45) MAPTKMT2AMEN1THRBPTGS2
SCHEMBL4318051 0.80 PTGS2 (0.44) KMT2AMEN1THRBPTGS2CA12
SCHEMBL4312071 0.79 MEN1 (0.51) MAPTKMT2AMEN1THRBPTGS2
SCHEMBL4325584 0.78 MEN1 (0.44) MAPTKMT2AMEN1THRBL3MBTL1
SCHEMBL4179742 0.78 ACHE (0.51) MAPTADORA3ADORA2AKMT2AMEN1
SCHEMBL6617686 0.77 CA12 (0.60) MAPTKMT2AMEN1POLBCA12
SCHEMBL9933095 0.76 SMN1; SMN2 (0.49) MAPTADORA3ADORA2AKMT2AMEN1

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 14 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-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

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 MAPT 2145/4885ADORA3 2440/4885ADORA2A 2385/4885
US-20080081808-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB MAPT 2145/4885ADORA3 2440/4885ADORA2A 2385/4885
US-20080242667-A1 Pyrimidinyl-Pyrazole Inhibitors of Aurora Kinases AURKA, AURKC, PLK1 MAPT 649/4885ADORA3 2860/4885ADORA2A 3985/4885
US-20080004308-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB MAPT 2145/4885ADORA3 2440/4885ADORA2A 2385/4885
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 MAPT 2850/4885ADORA3 1844/4885ADORA2A 2359/4885

“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.