SCHEMBL4171706

SCHEMBL4171706

CC(C)(C)N(CCc1cccc(-c2c[nH]c3ncc(-c4cccc(S(C)(=O)=O)c4)cc23)c1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 3/20 0.61
ITK Q08881 4/20 0.53
BTK Q06187 3/20 0.53
RIPK1 Q13546 2/20 0.51
AXL P30530 4/20 0.46
PLK4 O00444 2/20 0.46
NEK1 Q96PY6 1/20 0.46
IGF1R P08069 2/20 0.45
SGK1 O00141 3/20 0.45
NTRK1 P04629 2/20 0.45
PIK3CA P42336 2/20 0.45
CDC7 O00311 1/20 0.45
CHEK1 O14757 1/20 0.45
AURKA O14965 1/20 0.45
MAPK13 O15264 1/20 0.45
PDPK1 O15530 1/20 0.45
DYRK3 O43781 1/20 0.45
ROCK2 O75116 1/20 0.45
RPS6KA5 O75582 1/20 0.45
PRKD3 O94806 1/20 0.45

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
SCHEMBL4168951 0.82 CAMKK2 (0.65) CAMKK2ITKBTKRIPK1AXL
SCHEMBL3757332 0.80 CAMKK2 (0.67) CAMKK2ITKBTKRIPK1AXL
SCHEMBL5550001 0.80 CAMKK2 (0.61) CAMKK2ITKBTKRIPK1AXL
SCHEMBL8941762 0.79 CAMKK2 (0.74) CAMKK2RIPK1AXLIGF1RSGK1
SCHEMBL3770702 0.78 CAMKK2 (0.74) CAMKK2ITKBTKRIPK1AXL
SCHEMBL3763949 0.78 CAMKK2 (0.77) CAMKK2ITKRIPK1AXLPLK4
SCHEMBL3763656 0.77 SGK1 (0.76) CAMKK2ITKBTKRIPK1AXL
SCHEMBL3769389 0.76 CAMKK2 (1.00) CAMKK2ITKRIPK1AXLPLK4
SCHEMBL3774334 0.76 AXL (0.74) CAMKK2RIPK1AXLPLK4NEK1
SCHEMBL4165835 0.75 CAMKK2 (0.74) CAMKK2ITKRIPK1AXLPLK4

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 5 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
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

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 157/4885ITK 349/4885BTK 648/4885
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines SGK1, SGK2, SGK3 CAMKK2 125/4885ITK 366/4885BTK 597/4885

“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.