SCHEMBL4309050

SCHEMBL4309050

Cn1cc(-c2ccnc3c2cc(I)n3S(=O)(=O)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
AR P10275 1/20 0.38
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MET P08581 1/20 0.36
CSNK1D P48730 2/20 0.36
MAPK11 Q15759 2/20 0.36
MAPK14 Q16539 2/20 0.36
POLB P06746 1/20 0.35
PTGS2 P35354 5/20 0.34
PTPN11 Q06124 1/20 0.34
NOD1 Q9Y239 1/20 0.34
TAAR1 Q96RJ0 2/20 0.33
ADORA3 P0DMS8 1/20 0.33

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
SCHEMBL4309569 0.89 PTGDR2 (0.43) PTGDR2SMN1; SMN2MEN1LMNAPKM
SCHEMBL4314165 0.86 PTGDR2 (0.41) PTGDR2SMN1; SMN2MEN1LMNAPKM
SCHEMBL4309333 0.82 PTGDR2 (0.37) PTGDR2SMN1; SMN2MEN1LMNAPKM
SCHEMBL4325818 0.80 PTGDR2 (0.39) PTGDR2SMN1; SMN2MEN1LMNAPKM
SCHEMBL4309041 0.78 PTGDR2 (0.41) PTGDR2SMN1; SMN2MEN1LMNAPKM
SCHEMBL4306946 0.77 PTGDR2 (0.37) PTGDR2SMN1; SMN2MEN1LMNAPKM
SCHEMBL4312359 0.77 SMN1; SMN2 (0.38) PTGDR2SMN1; SMN2MEN1LMNAPKM
SCHEMBL4311630 0.76 PTGDR2 (0.39) PTGDR2SMN1; SMN2MEN1LMNAPKM
SCHEMBL4310432 0.76 LMNA (0.38) PTGDR2SMN1; SMN2MEN1LMNAPKM
SCHEMBL19252294 0.76 PTGDR2 (0.43) PTGDR2MEN1LMNAKMT2AALDH1A1

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 9 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-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
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 PTGDR2 4533/4885SMN1; SMN2 3558/4885MEN1 946/4885
US-20080081808-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB PTGDR2 4533/4885SMN1; SMN2 3558/4885MEN1 946/4885
US-20080004308-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB PTGDR2 4533/4885SMN1; SMN2 3558/4885MEN1 946/4885
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 PTGDR2 4446/4885SMN1; SMN2 2942/4885MEN1 400/4885

“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.