SCHEMBL3764549

SCHEMBL3764549

COc1ccc(-c2cnc3[nH]cc(-c4ccc(C(=O)O)cc4)c3c2)cc1OC

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.77
KIT P10721 12/20 0.76
DYRK1A Q13627 2/20 0.76
MAP3K11 Q16584 1/20 0.72
SLC2A1 P11166 1/20 0.72
AXL P30530 2/20 0.69
SGK1 O00141 1/20 0.69
CAMKK2 Q96RR4 1/20 0.69
PIK3CA P42336 1/20 0.65

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
SCHEMBL724275 0.91 MAP3K11 (0.86) AAK1KITDYRK1AMAP3K11SLC2A1
SCHEMBL878825 0.90 KIT (0.76) AAK1KITDYRK1AAXLPIK3CA
SCHEMBL3768155 0.90 MAP3K11 (0.72) AAK1KITDYRK1AMAP3K11AXL
SCHEMBL8387938 0.87 AAK1 (1.00) AAK1KITDYRK1ASLC2A1
SCHEMBL15833894 0.87 KIT (1.00) AAK1KITDYRK1ASLC2A1PIK3CA
SCHEMBL3768633 0.86 AXL (0.92) DYRK1AMAP3K11AXLSGK1CAMKK2
SCHEMBL3771190 0.85 AXL (0.71) AAK1KITDYRK1AMAP3K11AXL
SCHEMBL12763536 0.85 DYRK1A (1.00) AAK1KITDYRK1ASLC2A1PIK3CA
SCHEMBL12763510 0.85 KIT (0.85) AAK1KITDYRK1ASLC2A1PIK3CA
SCHEMBL3766303 0.85 NEK1 (0.76) KITDYRK1AAXLSGK1CAMKK2

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 8 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
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 AAK1 107/4885KIT 1364/4885DYRK1A 378/4885
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines SGK1, SGK2, SGK3 AAK1 100/4885KIT 1240/4885DYRK1A 360/4885

“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.