SCHEMBL4168951

SCHEMBL4168951

CS(=O)(=O)c1cccc(-c2cnc3[nH]cc(-c4cccc(CCN)c4)c3c2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 2/20 0.65
PLK4 O00444 2/20 0.54
RIPK1 Q13546 1/20 0.54
KIT P10721 3/20 0.53
SGK1 O00141 1/20 0.52
ITK Q08881 4/20 0.49
BTK Q06187 3/20 0.49
PIK3CA P42336 2/20 0.49
NTRK1 P04629 3/20 0.48
AXL P30530 4/20 0.47
DYRK1A Q13627 2/20 0.47
CDC7 O00311 1/20 0.47
CHEK1 O14757 1/20 0.47
AURKA O14965 1/20 0.47
MAPK13 O15264 1/20 0.47
PDPK1 O15530 1/20 0.47
DYRK3 O43781 1/20 0.47
ROCK2 O75116 1/20 0.47
RPS6KA5 O75582 1/20 0.47
PRKD3 O94806 1/20 0.47

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
SCHEMBL3757332 0.92 CAMKK2 (0.67) CAMKK2PLK4RIPK1KITSGK1
SCHEMBL4165835 0.87 CAMKK2 (0.74) CAMKK2PLK4RIPK1KITSGK1
SCHEMBL3774068 0.86 TNIK (0.62) CAMKK2RIPK1KITSGK1PIK3CA
SCHEMBL3769509 0.84 DYRK1A (0.64) CAMKK2RIPK1KITSGK1PIK3CA
SCHEMBL8941762 0.84 CAMKK2 (0.74) CAMKK2RIPK1KITSGK1PIK3CA
SCHEMBL4171706 0.82 CAMKK2 (0.61) CAMKK2PLK4RIPK1KITSGK1
SCHEMBL8941919 0.80 CAMKK2 (0.69) CAMKK2PLK4RIPK1KITPIK3CA
SCHEMBL3774334 0.80 AXL (0.74) CAMKK2PLK4RIPK1KITSGK1
SCHEMBL3770702 0.80 CAMKK2 (0.74) CAMKK2PLK4RIPK1SGK1ITK
SCHEMBL3775635 0.80 PIK3CA (0.72) KITSGK1PIK3CANTRK1AXL

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 12 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-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines GlaxoSmithKline, LLC 2012-09-20 US 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
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes GLAXOSMITHKLINE LLC 2009-09-17 US disclosed
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes GLAXOSMITHKLINE LLC 2009-09-17 US 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 157/4885PLK4 29/4885RIPK1 143/4885
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines SGK1, SGK2, SGK3 CAMKK2 125/4885PLK4 56/4885RIPK1 161/4885

“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.