SCHEMBL3771111

SCHEMBL3771111

COc1cc(-c2cnc3[nH]cc(-c4ccc(CC(=O)O)cc4)c3c2)cc(OC)c1OC

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 9/20 0.78
KIT P10721 5/20 0.68
LRRK2 Q5S007 2/20 0.67
SGK1 O00141 2/20 0.64
AAK1 Q2M2I8 2/20 0.59
DYRK1A Q13627 2/20 0.57
SLC2A1 P11166 1/20 0.55
CAMKK2 Q96RR4 1/20 0.54

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
SCHEMBL3768383 0.90 MAP3K11 (0.79) MAP3K11KITLRRK2SGK1AAK1
SCHEMBL722546 0.88 MAP3K11 (1.00) MAP3K11KITLRRK2SGK1AAK1
SCHEMBL3768155 0.86 MAP3K11 (0.72) MAP3K11KITLRRK2SGK1AAK1
SCHEMBL722653 0.86 MAP3K11 (0.78) MAP3K11KITLRRK2AAK1DYRK1A
SCHEMBL3698535 0.85 SGK1 (0.66) MAP3K11KITSGK1AAK1DYRK1A
SCHEMBL720821 0.83 MAP3K11 (0.79) MAP3K11KITLRRK2AAK1DYRK1A
SCHEMBL3759550 0.83 SGK1 (0.71) MAP3K11KITSGK1AAK1DYRK1A
SCHEMBL3775642 0.83 SGK1 (0.78) MAP3K11KITSGK1AAK1DYRK1A
SCHEMBL720568 0.82 MAP3K11 (1.00) MAP3K11KITLRRK2SGK1AAK1
SCHEMBL721246 0.82 MAP3K11 (0.70) MAP3K11KITLRRK2AAK1DYRK1A

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 MAP3K11 56/4885KIT 1364/4885LRRK2 562/4885
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines SGK1, SGK2, SGK3 MAP3K11 48/4885KIT 1240/4885LRRK2 488/4885

“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.