SCHEMBL3769360

SCHEMBL3769360

CS(=O)(=O)Nc1cccc(-c2cnc3[nH]cc(-c4ccc(CCC(=O)O)cc4)c3c2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 5/20 0.61
PIK3CA P42336 2/20 0.59
DYRK1A Q13627 2/20 0.58
CLK1 P49759 1/20 0.58
DYRK2 Q92630 1/20 0.58
DYRK1B Q9Y463 1/20 0.58
IGF1R P08069 2/20 0.58
CAMKK2 Q96RR4 2/20 0.56
NTRK1 P04629 4/20 0.53
SGK1 O00141 3/20 0.53
KIT P10721 1/20 0.53
AXL P30530 2/20 0.53
NEK1 Q96PY6 1/20 0.52
RIPK1 Q13546 1/20 0.52
CDC7 O00311 1/20 0.51
PLK4 O00444 1/20 0.51
CHEK1 O14757 1/20 0.51
AURKA O14965 1/20 0.51
MAPK13 O15264 1/20 0.51
PDPK1 O15530 1/20 0.51

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
SCHEMBL3763986 0.91 SGK1 (0.65) TNIKPIK3CADYRK1ACLK1DYRK2
SCHEMBL3763937 0.91 CLK1 (0.71) TNIKDYRK1ACLK1DYRK2DYRK1B
SCHEMBL3770702 0.87 CAMKK2 (0.74) DYRK1AIGF1RCAMKK2NTRK1SGK1
SCHEMBL3807981 0.87 SGK1 (0.67) TNIKPIK3CADYRK1ACLK1DYRK2
SCHEMBL3765020 0.86 CAMKK2 (0.75) TNIKPIK3CADYRK1ACLK1DYRK2
SCHEMBL3773743 0.83 NTRK1 (0.70) TNIKPIK3CADYRK1AIGF1RCAMKK2
SCHEMBL3761616 0.83 SGK1 (0.73) TNIKPIK3CADYRK1ACLK1DYRK2
SCHEMBL4164760 0.82 NEK1 (0.66) DYRK1AIGF1RCAMKK2NTRK1SGK1
SCHEMBL3765278 0.82 AXL (0.77) DYRK1ACLK1IGF1RCAMKK2NTRK1
SCHEMBL3765757 0.82 AXL (0.72) TNIKPIK3CADYRK1ACLK1DYRK2

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 8 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
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
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 TNIK 212/4885PIK3CA 335/4885DYRK1A 378/4885
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines SGK1, SGK2, SGK3 TNIK 213/4885PIK3CA 355/4885DYRK1A 360/4885

“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.