SCHEMBL3765574

SCHEMBL3765574

Nc1ccc(-c2cnc3[nH]cc(-c4ccc(C(=O)O)cc4)c3c2)cn1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 5/20 0.82
AXL P30530 8/20 0.76
CAMKK2 Q96RR4 5/20 0.76
SGK1 O00141 3/20 0.76
LRRK2 Q5S007 2/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
DYRK1A Q13627 3/20 0.59
CDC7 O00311 1/20 0.59
PLK4 O00444 1/20 0.59
CHEK1 O14757 1/20 0.59
AURKA O14965 1/20 0.59
MAPK13 O15264 1/20 0.59
PDPK1 O15530 1/20 0.59
DYRK3 O43781 1/20 0.59
ROCK2 O75116 1/20 0.59
RPS6KA5 O75582 1/20 0.59
PRKD3 O94806 1/20 0.59
PAK4 O96013 1/20 0.59

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
SCHEMBL721197 0.90 MAP3K11 (1.00) MAP3K11AXLCAMKK2SGK1LRRK2
SCHEMBL3768633 0.90 AXL (0.92) MAP3K11AXLCAMKK2SGK1DYRK1A
SCHEMBL3759528 0.89 AXL (0.81) MAP3K11AXLCAMKK2SGK1DYRK1A
SCHEMBL3774587 0.86 AXL (1.00) AXLCAMKK2SGK1DYRK1ACDC7
SCHEMBL3770166 0.85 AXL (0.78) AXLCAMKK2SGK1DYRK1ACDC7
SCHEMBL722564 0.84 MAP3K11 (1.00) MAP3K11AXLSGK1LRRK2CYP3A4
SCHEMBL3767957 0.84 AXL (0.81) MAP3K11AXLCAMKK2SGK1DYRK1A
SCHEMBL3760212 0.83 AXL (0.80) AXLCAMKK2SGK1DYRK1ACDC7
SCHEMBL3763777 0.83 AXL (0.76) MAP3K11AXLCAMKK2SGK1DYRK1A
SCHEMBL3770510 0.82 AXL (0.87) MAP3K11AXLCAMKK2SGK1DYRK1A

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 14 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
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines GlaxoSmithKline, LLC 2012-09-20 US 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
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes GLAXOSMITHKLINE LLC 2009-09-17 US disclosed
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes GLAXOSMITHKLINE LLC 2009-09-17 US 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 56/4885AXL 1542/4885CAMKK2 157/4885
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines SGK1, SGK2, SGK3 MAP3K11 48/4885AXL 1432/4885CAMKK2 125/4885

“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.