SCHEMBL3769433

SCHEMBL3769433

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

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 4/20 0.80
DYRK1A Q13627 1/20 0.57
KIT P10721 2/20 0.54
NEK1 Q96PY6 2/20 0.54
NTRK1 P04629 1/20 0.53
CAMKK2 Q96RR4 1/20 0.53
AAK1 Q2M2I8 1/20 0.52
PTGS2 P35354 3/20 0.51
PTGS1 P23219 2/20 0.51
AKR1C3 P42330 2/20 0.51
AKR1C2 P52895 2/20 0.51
CDC42 P60953 1/20 0.51
RAC1 P63000 1/20 0.51
CYP1A2 P05177 1/20 0.51
TSHR P16473 1/20 0.51
SLC22A6 Q4U2R8 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
SCHEMBL3760399 0.89 SGK1 (1.00) SGK1DYRK1ANEK1NTRK1CAMKK2
SCHEMBL3775642 0.83 SGK1 (0.78) SGK1DYRK1AKITNEK1NTRK1
SCHEMBL3759972 0.82 SGK1 (0.80) SGK1DYRK1AKITNEK1NTRK1
SCHEMBL3759714 0.82 SGK1 (0.83) SGK1DYRK1ANEK1NTRK1CAMKK2
SCHEMBL3770656 0.82 SGK1 (0.63) SGK1DYRK1AKITNEK1NTRK1
SCHEMBL3766254 0.82 SGK1 (0.79) SGK1DYRK1ANEK1NTRK1CAMKK2
SCHEMBL3763779 0.80 AXL (0.70) SGK1DYRK1AKITNEK1CAMKK2
SCHEMBL3772553 0.78 CAMKK2 (0.75) SGK1DYRK1ANEK1NTRK1CAMKK2
SCHEMBL15833785 0.77 KIT (0.81) DYRK1AKITNTRK1AAK1
SCHEMBL3766303 0.76 NEK1 (0.76) SGK1DYRK1AKITNEK1NTRK1

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 9 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

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 378/4885KIT 1364/4885
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines SGK1, SGK2, SGK3 SGK1 1/4885DYRK1A 360/4885KIT 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.