SCHEMBL4309333

SCHEMBL4309333

CN1CCN(c2ncc(-c3cc4c(-c5cn(C)nc5-c5ccc([N+](=O)[O-])cc5)ccnc4n3S(=O)(=O)c3ccccc3)cn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.37
MET P08581 4/20 0.36
LMNA P02545 3/20 0.36
PKM P14618 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR2C P28335 1/20 0.33
HTR6 P50406 2/20 0.33
PTPN11 Q06124 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
GBA1 P04062 1/20 0.33
ALK Q9UM73 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL4310549 0.90 HTR6 (0.34) LMNASMN1; SMN2MEN1HPGDKMT2A
SCHEMBL4314661 0.89 ALDH1A1 (0.39) PTGDR2METLMNAPTPN11MAPT
SCHEMBL4314165 0.84 PTGDR2 (0.41) PTGDR2METLMNAPKMSMN1; SMN2
SCHEMBL4309050 0.82 PTGDR2 (0.43) PTGDR2METLMNAPKMSMN1; SMN2
SCHEMBL4325818 0.81 PTGDR2 (0.39) PTGDR2LMNAPKMSMN1; SMN2MEN1
SCHEMBL4309569 0.81 PTGDR2 (0.43) PTGDR2METLMNAPKMSMN1; SMN2
SCHEMBL4313423 0.79 PIK3CA (0.42) PTPN11ALK
SCHEMBL4319350 0.76 PTGDR2 (0.36) PTGDR2LMNAPKMSMN1; SMN2MEN1
SCHEMBL4311714 0.76 AURKA (0.45) PTGDR2METALDH1A1
SCHEMBL4315049 0.76 AURKA (0.51) LMNASMN1; SMN2MAPTALDH1A1CYP2C9

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 4533/4885MET 1668/4885LMNA 3007/4885
US-20080081808-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB PTGDR2 4533/4885MET 1668/4885LMNA 3007/4885
US-20080004308-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB PTGDR2 4533/4885MET 1668/4885LMNA 3007/4885
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 4446/4885MET 872/4885LMNA 3144/4885

“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.