SCHEMBL3763799

SCHEMBL3763799

CC(C)c1cc(-c2c[nH]c3ncc(-c4cccc(NC(=O)CCNC(=O)OC(C)(C)C)c4)cc23)ccc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 4/20 0.61
SGK1 O00141 2/20 0.49
KIT P10721 1/20 0.48
RIPK1 Q13546 5/20 0.47
IGF1R P08069 2/20 0.47
BTK Q06187 3/20 0.46
NTRK1 P04629 1/20 0.45
AXL P30530 1/20 0.45
PLCG1 P19174 3/20 0.45
ITK Q08881 2/20 0.44
PIK3CG P48736 1/20 0.44

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
SCHEMBL4166436 0.87 AXL (0.55) CAMKK2SGK1KITRIPK1IGF1R
SCHEMBL4171095 0.86 CAMKK2 (0.71) CAMKK2SGK1KITRIPK1IGF1R
SCHEMBL3767898 0.83 AXL (0.54) CAMKK2SGK1KITRIPK1IGF1R
SCHEMBL4171110 0.80 CAMKK2 (0.73) CAMKK2SGK1KITRIPK1IGF1R
SCHEMBL14069150 0.79 BTK (0.50) SGK1KITBTKNTRK1PLCG1
SCHEMBL3766865 0.78 CAMKK2 (1.00) CAMKK2SGK1RIPK1IGF1RAXL
SCHEMBL4171104 0.77 CAMKK2 (0.69) CAMKK2SGK1KITRIPK1IGF1R
SCHEMBL4158761 0.76 CDK8 (0.56) KITBTKNTRK1ITK
SCHEMBL3692347 0.76 CAMKK2 (0.69) CAMKK2SGK1KITRIPK1IGF1R
SCHEMBL3772477 0.74 CAMKK2 (0.77) CAMKK2SGK1KITNTRK1AXL

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
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
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
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 1/4885KIT 1364/4885
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines SGK1, SGK2, SGK3 CAMKK2 125/4885SGK1 1/4885KIT 1240/4885

“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.