SCHEMBL4311399

SCHEMBL4311399

Cc1nc(-c2ccc([N+](=O)[O-])cc2)c(Br)o1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.63
MMP2 P08253 4/20 0.45
MMP9 P14780 4/20 0.45
MMP8 P22894 4/20 0.45
MMP13 P45452 4/20 0.45
MAPT P10636 8/20 0.43
ALDH1A1 P00352 6/20 0.43
RAB9A P51151 5/20 0.43
NPC1 O15118 3/20 0.43
MEN1 O00255 3/20 0.43
PKM P14618 2/20 0.43
POLB P06746 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ACHE P22303 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NOTUM Q6P988 1/20 0.41
RECQL P46063 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MAPK1 P28482 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
SCHEMBL10339343 0.83 KMT2A (0.89) KMT2AMMP2MMP9MMP8MMP13
SCHEMBL13123779 0.79 KMT2A (0.60) KMT2AMMP2MMP9MMP8MMP13
SCHEMBL16421086 0.78 TDP1 (0.41) KMT2AMAPTALDH1A1RAB9ANPC1
SCHEMBL5698593 0.78 KMT2A (1.00) KMT2AMMP2MMP9MMP8MMP13
SCHEMBL29376197 0.75 KMT2A (0.49) KMT2AMAPTALDH1A1RAB9ANPC1
SCHEMBL31469380 0.74 MAPK13 (0.54) KMT2AMAPTALDH1A1RAB9AMEN1
SCHEMBL7799104 0.74 KMT2A (0.72) KMT2A
SCHEMBL25337476 0.72 MMP2 (0.55) KMT2AMMP2MMP9MMP8MMP13
SCHEMBL4311452 0.72 SMN1; SMN2 (0.48) KMT2AMMP2MMP9MMP8MMP13
SCHEMBL223767 0.69 MAPT (0.65) KMT2AMMP2MMP9MMP8MMP13

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 KMT2A 105/4885MMP2 4215/4885MMP9 3555/4885
US-20080081808-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB KMT2A 105/4885MMP2 4215/4885MMP9 3555/4885
US-20080004308-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB KMT2A 105/4885MMP2 4215/4885MMP9 3555/4885
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 KMT2A 113/4885MMP2 4560/4885MMP9 3984/4885

“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.