SCHEMBL4317065

SCHEMBL4317065

COc1ccc(Cn2cc(B3OC(C)(C)C(C)(C)O3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
UCHL1 P09936 1/20 0.43
KCNJ1 P48048 1/20 0.42
KCNH2 Q12809 1/20 0.42
HTT P42858 2/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
APP P05067 1/20 0.40
PTPN11 Q06124 1/20 0.40
AURKA O14965 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CYP19A1 P11511 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
TGM2 P21980 1/20 0.39
LMNA P02545 1/20 0.39
CRHBP P24387 1/20 0.39

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
SCHEMBL1847008 0.89 KMT2A (0.46) MAPTSMN1; SMN2UCHL1KMT2AMEN1
SCHEMBL4305414 0.83 APOBEC3G (0.37) MAPTSMN1; SMN2HTTKMT2AMEN1
SCHEMBL4311736 0.81 MAPT (0.55) MAPTSMN1; SMN2KCNJ1KCNH2HTT
SCHEMBL17385335 0.81 MAPT (0.55) MAPTSMN1; SMN2KCNJ1KCNH2HTT
SCHEMBL4314739 0.80 KMT2A (0.39) MAPTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL3679104 0.79 MAPT (0.41) MAPTSMN1; SMN2HTTKMT2AMEN1
SCHEMBL4318105 0.79 MAPT (0.39) MAPTSMN1; SMN2HTTKMT2AMEN1
SCHEMBL22353109 0.78 MAPT (0.53) MAPTSMN1; SMN2KCNJ1KCNH2HTT
SCHEMBL15595830 0.77 UCHL1 (0.51) MAPTSMN1; SMN2UCHL1KMT2AMEN1
SCHEMBL369251 0.76 UCHL1 (0.53) SMN1; SMN2UCHL1HTTKMT2AMEN1

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 MAPT 2145/4885SMN1; SMN2 3558/4885UCHL1 4048/4885
US-20080081808-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB MAPT 2145/4885SMN1; SMN2 3558/4885UCHL1 4048/4885
US-20080004308-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB MAPT 2145/4885SMN1; SMN2 3558/4885UCHL1 4048/4885
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 2850/4885SMN1; SMN2 2942/4885UCHL1 2954/4885

“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.