SCHEMBL3775642

SCHEMBL3775642

COc1ccc2cc(-c3cnc4[nH]cc(-c5ccc(CC(=O)O)cc5)c4c3)ccc2c1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 4/20 0.78
DYRK1A Q13627 1/20 0.58
CYP11B1 P15538 1/20 0.57
CYP11B2 P19099 1/20 0.57
MAP3K11 Q16584 2/20 0.56
KIT P10721 2/20 0.55
NEK1 Q96PY6 2/20 0.55
NTRK1 P04629 1/20 0.53
CAMKK2 Q96RR4 1/20 0.53
AAK1 Q2M2I8 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
SCHEMBL3770656 0.90 SGK1 (0.63) SGK1DYRK1AMAP3K11KITNEK1
SCHEMBL3759550 0.90 SGK1 (0.71) SGK1DYRK1AMAP3K11KITNEK1
SCHEMBL3769483 0.88 SGK1 (1.00) SGK1DYRK1AMAP3K11NEK1NTRK1
SCHEMBL3698535 0.85 SGK1 (0.66) SGK1DYRK1AMAP3K11KITNEK1
SCHEMBL3769433 0.83 SGK1 (0.80) SGK1DYRK1AKITNEK1NTRK1
SCHEMBL3759972 0.83 SGK1 (0.80) SGK1DYRK1AKITNEK1NTRK1
SCHEMBL3767333 0.83 SGK1 (0.73) SGK1DYRK1AMAP3K11NEK1NTRK1
SCHEMBL3771111 0.83 MAP3K11 (0.78) SGK1DYRK1AMAP3K11KITCAMKK2
SCHEMBL3763779 0.82 AXL (0.70) SGK1DYRK1AKITNEK1CAMKK2
SCHEMBL3772598 0.81 SGK1 (0.82) SGK1DYRK1AMAP3K11NEK1NTRK1

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 1/4885DYRK1A 378/4885CYP11B1 884/4885
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines SGK1, SGK2, SGK3 SGK1 1/4885DYRK1A 360/4885CYP11B1 877/4885

“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.