SCHEMBL4171104

SCHEMBL4171104

CC(C)c1cc(-c2c[nH]c3ncc(-c4cccc(N[C@](C)(N)C=O)c4)cc23)ccc1C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 5/20 0.69
SGK1 O00141 6/20 0.52
AXL P30530 4/20 0.50
RIPK1 Q13546 3/20 0.49
IGF1R P08069 1/20 0.49
PIK3CG P48736 1/20 0.48
PLCG1 P19174 1/20 0.47
KIT P10721 1/20 0.47
AURKA O14965 2/20 0.46
SGK2 Q9HBY8 2/20 0.46
CAMKK1 Q8N5S9 1/20 0.46
SGK3 Q96BR1 1/20 0.46
NTRK1 P04629 2/20 0.46
ITK Q08881 2/20 0.46
BTK Q06187 1/20 0.46
CDC7 O00311 1/20 0.46
PLK4 O00444 1/20 0.46
CHEK1 O14757 1/20 0.46
MAPK13 O15264 1/20 0.46
PDPK1 O15530 1/20 0.46

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
SCHEMBL3692345 0.89 CAMKK2 (0.67) CAMKK2SGK1AXLRIPK1IGF1R
SCHEMBL3761715 0.86 SGK1 (0.63) CAMKK2SGK1AXLRIPK1IGF1R
SCHEMBL4171110 0.83 CAMKK2 (0.73) CAMKK2SGK1AXLRIPK1IGF1R
SCHEMBL3766865 0.82 CAMKK2 (1.00) CAMKK2SGK1AXLRIPK1IGF1R
SCHEMBL4171095 0.82 CAMKK2 (0.71) CAMKK2SGK1AXLRIPK1IGF1R
SCHEMBL3772477 0.79 CAMKK2 (0.77) CAMKK2SGK1AXLPIK3CGPLCG1
SCHEMBL3763799 0.77 CAMKK2 (0.61) CAMKK2SGK1AXLRIPK1IGF1R
SCHEMBL3768389 0.76 CAMKK2 (0.78) CAMKK2SGK1AXLPIK3CGAURKA
SCHEMBL3760254 0.75 CAMKK2 (0.74) CAMKK2SGK1AXLPIK3CGAURKA
SCHEMBL3774170 0.74 CAMKK2 (0.69) CAMKK2SGK1AXLRIPK1IGF1R

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
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines GlaxoSmithKline, LLC 2012-09-20 US claimed
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes GLAXOSMITHKLINE LLC 2009-09-17 US claimed
EP-1828180-A1 1H-PYRROLO[2,3-BETA]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2007-09-05 EP claimed
WO-2006063167-A1 1H-PYRROLO[2,3-B]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2006-06-15 WO claimed
WO-2021006707-A1 USE OF SGK1 INHIBITOR AS THERAPEUTIC AGENT FOR INFLAMMATORY NEUROLOGICAL DISEASES 한양대학교 산학협력단 2021-01-14 WO disclosed
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines GlaxoSmithKline, LLC 2012-09-20 US disclosed
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes GLAXOSMITHKLINE LLC 2009-09-17 US disclosed
EP-1828180-A1 1H-PYRROLO[2,3-BETA]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2007-09-05 EP disclosed
WO-2006063167-A1 1H-PYRROLO[2,3-B]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2006-06-15 WO 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 (2 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-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes SGK1, SGK2, SGK3 CAMKK2 157/4885SGK1 1/4885AXL 1542/4885
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines SGK1, SGK2, SGK3 CAMKK2 125/4885SGK1 1/4885AXL 1432/4885

“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.