SCHEMBL4168451

SCHEMBL4168451

CC(C)(C)N(C(=O)O)c1cc2ccccc2c(-c2cnc3[nH]cc(Br)c3c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 7/20 0.41
AXL P30530 9/20 0.39
CAMKK2 Q96RR4 3/20 0.36
NEK1 Q96PY6 1/20 0.36
PLK4 O00444 2/20 0.36
AURKA O14965 2/20 0.36
ROCK2 O75116 2/20 0.36
PRKD3 O94806 2/20 0.36
INSR P06213 2/20 0.36
CDK1 P06493 2/20 0.36
FES P07332 2/20 0.36
ROS1 P08922 2/20 0.36
FGFR1 P11362 2/20 0.36
PHKG2 P15735 2/20 0.36
FER P16591 2/20 0.36
FLT1 P17948 2/20 0.36
CDK2 P24941 2/20 0.36
MARK3 P27448 2/20 0.36
FLT4 P35916 2/20 0.36
KDR P35968 2/20 0.36

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
SCHEMBL4160322 0.83 CDK8 (0.46) AXLPLK4ROCK2PRKD3INSR
SCHEMBL4154787 0.81 MAP3K11 (0.51) SGK1AXLCAMKK2DYRK1ACDK8
SCHEMBL4154983 0.73 TRPM8 (0.41)
SCHEMBL4159593 0.68 AXL (0.69) SGK1AXLCAMKK2PLK4AURKA
Bromide SCHEMBL4164915 0.67 AXL (0.67) SGK1AXLCAMKK2PLK4AURKA
SCHEMBL13854133 0.67 CDK2 (0.63) SGK1AXLPLK4AURKAROCK2
SCHEMBL27677221 0.66 CYP1A2 (0.41) FLT3PDPK1CSF1R
SCHEMBL4154994 0.62 AXL (0.45) SGK1AXLCAMKK2DYRK1ACDK8
SCHEMBL4157425 0.62 RIPK1 (0.52) AXLPLK4ROCK2PRKD3INSR
SCHEMBL8321012 0.61 MAPK8 (0.63) SGK1AXLMAPK8DYRK1ACDK8

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 2 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

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