SCHEMBL3766865

SCHEMBL3766865

CC(C)c1cc(-c2c[nH]c3ncc(-c4ccccc4)cc23)ccc1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 8/20 1.00
SGK1 O00141 7/20 0.73
AXL P30530 8/20 0.71
AURKA O14965 1/20 0.64
CAMKK1 Q8N5S9 1/20 0.64
SGK3 Q96BR1 1/20 0.64
SGK2 Q9HBY8 1/20 0.64
CDK8 P49336 1/20 0.60
TNIK Q9UKE5 1/20 0.60
PIK3CG P48736 1/20 0.59
IGF1R P08069 1/20 0.57
RIPK1 Q13546 1/20 0.57

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
SCHEMBL3768389 0.88 CAMKK2 (0.78) CAMKK2SGK1AXLAURKACAMKK1
SCHEMBL3772477 0.88 CAMKK2 (0.77) CAMKK2SGK1AXLAURKACAMKK1
SCHEMBL3760254 0.85 CAMKK2 (0.74) CAMKK2SGK1AXLAURKACAMKK1
SCHEMBL3767383 0.85 CAMKK2 (1.00) CAMKK2SGK1AXLAURKACAMKK1
SCHEMBL4171110 0.85 CAMKK2 (0.73) CAMKK2SGK1AXLPIK3CGIGF1R
SCHEMBL3774571 0.84 CAMKK2 (1.00) CAMKK2SGK1AXLAURKACAMKK1
SCHEMBL4171095 0.84 CAMKK2 (0.71) CAMKK2SGK1AXLPIK3CGIGF1R
SCHEMBL3767167 0.83 CAMKK2 (0.76) CAMKK2SGK1AXLAURKACAMKK1
SCHEMBL3768084 0.83 CAMKK2 (1.00) CAMKK2SGK1AXLAURKACAMKK1
SCHEMBL3762417 0.83 CAMKK2 (0.74) CAMKK2SGK1AXLAURKACAMKK1

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
WO-2010049173-A1 USE OF INHIBITORS OF HOST KINASES FOR THE TREATMENT OF INFECTIOUS DISEASES CENIX BIOSCIENCE GMBH (DE) 2010-05-06 WO 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
WO-2010049173-A1 USE OF INHIBITORS OF HOST KINASES FOR THE TREATMENT OF INFECTIOUS DISEASES CENIX BIOSCIENCE GMBH (DE) 2010-05-06 WO disclosed
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes GLAXOSMITHKLINE LLC 2009-09-17 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 (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.