SCHEMBL3759714

SCHEMBL3759714

CC(C(=O)O)c1ccc(-c2c[nH]c3ncc(-c4cnc5ccccc5c4)cc23)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 8/20 0.83
AKR1C3 P42330 1/20 0.57
AKR1C2 P52895 1/20 0.57
AXL P30530 6/20 0.55
CAMKK2 Q96RR4 5/20 0.55
CDK8 P49336 1/20 0.53
TNIK Q9UKE5 1/20 0.53
NEK1 Q96PY6 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
DYRK3 O43781 1/20 0.51
ROCK2 O75116 1/20 0.51
RPS6KA5 O75582 1/20 0.51
PRKD3 O94806 1/20 0.51
PAK4 O96013 1/20 0.51
CHEK2 O96017 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
SCHEMBL3766254 0.91 SGK1 (0.79) SGK1AKR1C3AKR1C2AXLCAMKK2
SCHEMBL3760399 0.91 SGK1 (1.00) SGK1AXLCAMKK2CDK8TNIK
SCHEMBL3769433 0.82 SGK1 (0.80) SGK1AKR1C3AKR1C2CAMKK2NEK1
SCHEMBL3768007 0.82 SGK1 (0.83) SGK1AXLCAMKK2CDK8TNIK
SCHEMBL3772598 0.81 SGK1 (0.82) SGK1AXLCAMKK2CDK8TNIK
SCHEMBL3760360 0.81 SGK1 (0.64) SGK1AXLCAMKK2NEK1CDC7
SCHEMBL3772553 0.79 CAMKK2 (0.75) SGK1AXLCAMKK2CDK8TNIK
SCHEMBL3765166 0.75 AXL (0.70) SGK1AXLCAMKK2CDK8TNIK
SCHEMBL3772360 0.74 AXL (0.80) SGK1AXLCAMKK2CDK8TNIK
SCHEMBL12763521 0.74 AXL (0.76) SGK1AXLCAMKK2CDK8TNIK

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 SGK1 1/4885AKR1C3 1500/4885AKR1C2 1464/4885
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines SGK1, SGK2, SGK3 SGK1 1/4885AKR1C3 1662/4885AKR1C2 1574/4885

“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.