SCHEMBL3757388

SCHEMBL3757388

Cc1cc(-c2c[nH]c3ncc(-c4cccc(C#N)c4)cc23)ccc1C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 7/20 0.76
SGK1 O00141 6/20 0.68
KIT P10721 1/20 0.64
NTRK1 P04629 2/20 0.64
PIK3CA P42336 2/20 0.64
NEK1 Q96PY6 1/20 0.64
PLCG1 P19174 1/20 0.61
AXL P30530 5/20 0.58
TNIK Q9UKE5 1/20 0.55
AURKA O14965 1/20 0.53
CAMKK1 Q8N5S9 1/20 0.53
SGK3 Q96BR1 1/20 0.53
SGK2 Q9HBY8 1/20 0.53

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
SCHEMBL3771594 0.89 AXL (0.76) CAMKK2SGK1KITNTRK1PIK3CA
SCHEMBL3772477 0.88 CAMKK2 (0.77) CAMKK2SGK1KITNTRK1PIK3CA
SCHEMBL3763451 0.87 SGK1 (0.74) CAMKK2SGK1KITNTRK1PIK3CA
SCHEMBL3767383 0.87 CAMKK2 (1.00) CAMKK2SGK1KITAXLTNIK
SCHEMBL3770773 0.86 CAMKK2 (0.85) CAMKK2SGK1KITNTRK1NEK1
SCHEMBL3759378 0.83 CAMKK2 (0.77) CAMKK2SGK1KITNTRK1NEK1
SCHEMBL3768000 0.83 CAMKK2 (0.79) CAMKK2SGK1NEK1AXLAURKA
SCHEMBL3761065 0.82 CAMKK2 (0.82) CAMKK2SGK1NEK1AXLAURKA
SCHEMBL4163107 0.81 NTRK1 (0.62) CAMKK2SGK1KITNTRK1PIK3CA
SCHEMBL3765156 0.81 CAMKK2 (0.77) CAMKK2SGK1KITNEK1AXL

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 11 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
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 CAMKK2 157/4885SGK1 1/4885KIT 1364/4885
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines SGK1, SGK2, SGK3 CAMKK2 125/4885SGK1 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.