SCHEMBL4154994

SCHEMBL4154994

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AXL P30530 6/20 0.45
SGK1 O00141 5/20 0.45
CAMKK2 Q96RR4 4/20 0.45
CLK1 P49759 3/20 0.43
DYRK1A Q13627 3/20 0.43
DYRK2 Q92630 3/20 0.43
DYRK1B Q9Y463 3/20 0.43
MAP3K11 Q16584 2/20 0.43
CDK8 P49336 2/20 0.43
PLCG1 P19174 1/20 0.43
IGF1R P08069 1/20 0.42
RIPK1 Q13546 1/20 0.42
TNIK Q9UKE5 1/20 0.42

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
SCHEMBL4162816 0.85 CDK8 (0.45) AXLSGK1CAMKK2CDK8PLCG1
SCHEMBL5549486 0.81 CDK8 (0.42) AXLSGK1CAMKK2CDK8PLCG1
SCHEMBL4159593 0.76 AXL (0.69) AXLSGK1CAMKK2DYRK1AMAP3K11
Bromide SCHEMBL4164915 0.75 AXL (0.67) AXLSGK1CAMKK2DYRK1AMAP3K11
SCHEMBL4167250 0.75 RIPK1 (0.59) AXLDYRK1ADYRK1BCDK8RIPK1
SCHEMBL4154787 0.74 MAP3K11 (0.51) AXLSGK1CAMKK2CLK1DYRK1A
SCHEMBL4876684 0.71 DEGS1 (0.58)
SCHEMBL8321012 0.70 MAPK8 (0.63) AXLSGK1CLK1DYRK1ADYRK2
SCHEMBL22554109 0.70 AXL (0.45) AXLSGK1CAMKK2CLK1DYRK1A
SCHEMBL30731289 0.70 AXL (0.45) AXLSGK1CAMKK2CLK1DYRK1A

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 4 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 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 AXL 1542/4885SGK1 1/4885CAMKK2 157/4885
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines SGK1, SGK2, SGK3 AXL 1432/4885SGK1 1/4885CAMKK2 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.