SCHEMBL4154787

SCHEMBL4154787

CC(C)(C)N(C(=O)O)c1ccc(-c2cnc3[nH]cc(Br)c3c2)cn1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 3/20 0.51
SGK1 O00141 7/20 0.44
AXL P30530 6/20 0.41
CAMKK2 Q96RR4 4/20 0.41
CDK8 P49336 1/20 0.40
ABL1 P00519 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAP4K1 Q92918 1/20 0.39
CLK1 P49759 2/20 0.38
DYRK1A Q13627 2/20 0.38
DYRK2 Q92630 2/20 0.38
DYRK1B Q9Y463 2/20 0.38

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
SCHEMBL4168451 0.81 SGK1 (0.41) SGK1AXLCAMKK2CDK8ABL1
SCHEMBL4157425 0.78 RIPK1 (0.52) AXLCDK8ABL1MAP4K1DYRK1A
SCHEMBL4154994 0.74 AXL (0.45) MAP3K11SGK1AXLCAMKK2CDK8
SCHEMBL30116111 0.72 AAK1 (0.41) MAP3K11SGK1AXLCAMKK2CDK8
SCHEMBL23753439 0.72 RXRA (0.43)
SCHEMBL29034266 0.71 GBA1 (0.46)
SCHEMBL4159593 0.71 AXL (0.69) MAP3K11SGK1AXLCAMKK2CDK8
SCHEMBL8321012 0.71 MAPK8 (0.63) MAP3K11SGK1AXLCDK8CLK1
Bromide SCHEMBL4164915 0.70 AXL (0.67) MAP3K11SGK1AXLCAMKK2CDK8
SCHEMBL5549486 0.69 CDK8 (0.42) SGK1AXLCAMKK2CDK8CYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 56/4885SGK1 1/4885AXL 1542/4885

“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.