SCHEMBL4313989

SCHEMBL4313989

C=CCn1cc(Br)c(-c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
APOBEC3G Q9HC16 2/20 0.48
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
PTGS2 P35354 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CFTR P13569 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GFER P55789 1/20 0.37
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
AURKA O14965 1/20 0.36
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36

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
SCHEMBL4309279 0.82 APOBEC3G (0.45) MAPTAPOBEC3GKMT2AMEN1PTGS2
SCHEMBL4312071 0.80 MEN1 (0.51) MAPTKMT2AMEN1PTGS2SMN1; SMN2
SCHEMBL4325584 0.77 MEN1 (0.44) MAPTAPOBEC3GKMT2AMEN1PTGS2
SCHEMBL4318105 0.77 MAPT (0.39) MAPTAPOBEC3GKMT2AMEN1PTGS2
SCHEMBL4319645 0.75 MAPT (0.48) MAPTKMT2AMEN1PTGS2RAB9A
SCHEMBL4311736 0.73 MAPT (0.55) MAPTKMT2AMEN1PTGS2SMN1; SMN2
SCHEMBL4325502 0.72 KMT2A (0.40) MAPTAPOBEC3GKMT2AMEN1PTGS2
SCHEMBL4308868 0.72 AURKB (0.50) AURKA
SCHEMBL4313628 0.71 ABCC8 (0.41) MAPTAPOBEC3GKMT2AMEN1PTGS2
SCHEMBL4318051 0.70 PTGS2 (0.44) KMT2AMEN1PTGS2SMN1; SMN2LMNA

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 11 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
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 MAPT 2145/4885APOBEC3G 2929/4885KMT2A 105/4885
US-20080081808-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB MAPT 2145/4885APOBEC3G 2929/4885KMT2A 105/4885
US-20080004308-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB MAPT 2145/4885APOBEC3G 2929/4885KMT2A 105/4885
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 2850/4885APOBEC3G 1748/4885KMT2A 113/4885

“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.