SCHEMBL3765153

SCHEMBL3765153

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 7/20 0.73
SGK1 O00141 3/20 0.72
KIT P10721 7/20 0.69
PIK3CA P42336 3/20 0.65
DYRK1A Q13627 2/20 0.64
AXL P30530 4/20 0.61
CDC7 O00311 1/20 0.61
PLK4 O00444 1/20 0.61
CHEK1 O14757 1/20 0.61
AURKA O14965 1/20 0.61
MAPK13 O15264 1/20 0.61
PDPK1 O15530 1/20 0.61
DYRK3 O43781 1/20 0.61
ROCK2 O75116 1/20 0.61
RPS6KA5 O75582 1/20 0.61
PRKD3 O94806 1/20 0.61
PAK4 O96013 1/20 0.61
CHEK2 O96017 1/20 0.61
ABL1 P00519 1/20 0.61
EGFR P00533 1/20 0.61

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
SCHEMBL3773743 0.90 NTRK1 (0.70) NTRK1SGK1KITPIK3CADYRK1A
SCHEMBL3773146 0.88 SGK1 (0.72) NTRK1SGK1DYRK1AAXLCDC7
SCHEMBL3766055 0.88 AXL (0.80) NTRK1SGK1DYRK1AAXLCDC7
SCHEMBL3770166 0.86 AXL (0.78) NTRK1SGK1KITPIK3CADYRK1A
SCHEMBL3760892 0.85 SGK1 (0.70) NTRK1SGK1KITPIK3CADYRK1A
SCHEMBL3759550 0.85 SGK1 (0.71) NTRK1SGK1KITDYRK1AAXL
SCHEMBL3769483 0.84 SGK1 (1.00) NTRK1SGK1DYRK1AAXLCDC7
SCHEMBL3763949 0.84 CAMKK2 (0.77) NTRK1SGK1DYRK1AAXLCDC7
SCHEMBL3767333 0.84 SGK1 (0.73) NTRK1SGK1DYRK1AAXLCDC7
SCHEMBL3763986 0.82 SGK1 (0.65) NTRK1SGK1KITPIK3CADYRK1A

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 NTRK1 964/4885SGK1 1/4885KIT 1364/4885
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines SGK1, SGK2, SGK3 NTRK1 997/4885SGK1 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.