SCHEMBL4311792

SCHEMBL4311792

CC(=O)Nc1ccc(-c2cc3c(Br)ccnc3n2S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
PIK3C3 Q8NEB9 2/20 0.44
ALDH1A1 P00352 5/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MTOR P42345 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
MAPT P10636 3/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.39
PTGS2 P35354 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL4325988 0.90 FYN (0.44) MEN1KMT2APIK3C3SMN1; SMN2MAPT
SCHEMBL4318098 0.86 PTGS2 (0.43) MEN1KMT2AALDH1A1LMNAPTGDR2
SCHEMBL29941106 0.85 CA12 (0.42) PIK3C3ALDH1A1PTGDR2MAPTCYP2C19
SCHEMBL17289842 0.85 CA12 (0.42) PIK3C3ALDH1A1PTGDR2MAPTCYP2C19
SCHEMBL4318163 0.81 AURKA (0.40) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL4319343 0.81 CA12 (0.40) MEN1KMT2APIK3C3ALDH1A1LMNA
SCHEMBL3603085 0.80 PTGDR2 (0.46) ALDH1A1LMNASMN1; SMN2PTGDR2MAPT
SCHEMBL4305135 0.80 CA12 (0.40) MEN1KMT2APIK3C3SMN1; SMN2PTGDR2
SCHEMBL4305139 0.79 PTGDR2 (0.39) PTGDR2
SCHEMBL4312251 0.78 CYP1A2 (0.43) MEN1KMT2AALDH1A1LMNASMN1; SMN2

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 MEN1 946/4885KMT2A 105/4885PIK3C3 258/4885
US-20080081808-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB MEN1 946/4885KMT2A 105/4885PIK3C3 258/4885
US-20080004308-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB MEN1 946/4885KMT2A 105/4885PIK3C3 258/4885
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 MEN1 400/4885KMT2A 113/4885PIK3C3 29/4885

“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.