SCHEMBL3768166

SCHEMBL3768166

CS(=O)(=O)Nc1ccc(-c2cnc3[nH]cc(-c4ccc(CN)cc4)c3c2)cc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 5/20 0.74
DYRK1A Q13627 5/20 0.74
DYRK2 Q92630 5/20 0.74
DYRK1B Q9Y463 5/20 0.74
TNIK Q9UKE5 6/20 0.69
SGK1 O00141 1/20 0.68
NTRK1 P04629 2/20 0.60
IGF1R P08069 1/20 0.55
PIK3CA P42336 1/20 0.52
CAMKK2 Q96RR4 2/20 0.51
MAPK10 P53779 1/20 0.51
AXL P30530 1/20 0.50
CDK8 P49336 1/20 0.50

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
SCHEMBL4167106 0.92 DYRK1A (0.66) CLK1DYRK1ADYRK2DYRK1BTNIK
SCHEMBL3807981 0.91 SGK1 (0.67) CLK1DYRK1ADYRK2DYRK1BTNIK
SCHEMBL8941800 0.86 CLK1 (0.81) CLK1DYRK1ADYRK2DYRK1BTNIK
SCHEMBL3771011 0.86 CLK1 (0.74) CLK1DYRK1ADYRK2DYRK1BTNIK
SCHEMBL3769509 0.86 DYRK1A (0.64) CLK1DYRK1ADYRK2DYRK1BTNIK
SCHEMBL3763937 0.85 CLK1 (0.71) CLK1DYRK1ADYRK2DYRK1BTNIK
SCHEMBL8941891 0.84 DYRK1A (0.77) CLK1DYRK1ADYRK2DYRK1BTNIK
SCHEMBL3771136 0.83 TNIK (0.64) CLK1DYRK1ADYRK2DYRK1BTNIK
SCHEMBL3773952 0.83 CLK1 (0.78) CLK1DYRK1ADYRK2DYRK1BTNIK
SCHEMBL3812358 0.82 DYRK1A (0.70) CLK1DYRK1ADYRK2DYRK1BTNIK

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 10 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
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 CLK1 254/4885DYRK1A 378/4885DYRK2 348/4885
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines SGK1, SGK2, SGK3 CLK1 262/4885DYRK1A 360/4885DYRK2 317/4885

“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.