SCHEMBL4157425

SCHEMBL4157425

CC(C)(C)N(C(=O)O)c1ccc(-c2cnc3[nH]ccc3c2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.52
CDK8 P49336 9/20 0.50
CDK7 P50613 2/20 0.50
PLK4 O00444 2/20 0.50
ROCK2 O75116 2/20 0.50
PRKD3 O94806 2/20 0.50
MAP4K4 O95819 2/20 0.50
INSR P06213 2/20 0.50
CDK1 P06493 2/20 0.50
ROS1 P08922 2/20 0.50
FER P16591 2/20 0.50
CDK2 P24941 2/20 0.50
MARK3 P27448 2/20 0.50
FLT4 P35916 2/20 0.50
KDR P35968 2/20 0.50
SYK P43405 2/20 0.50
MAPK8 P45983 2/20 0.50
CSNK1D P48730 2/20 0.50
CLK2 P49760 2/20 0.50
BLK P51451 2/20 0.50

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 0.79 CDK8 (0.46) RIPK1CDK8CDK7PLK4ROCK2
SCHEMBL4154787 0.78 MAP3K11 (0.51) CDK8AXLMAP4K1DYRK1BABL1
SCHEMBL23753439 0.74 RXRA (0.43) MAP4K4CSNK2A1MKNK2PDGFRBPDGFRA
SCHEMBL4831501 0.72 CDK8 (0.81) RIPK1CDK8CDK7PLK4ROCK2
SCHEMBL4167250 0.72 RIPK1 (0.59) RIPK1CDK8CDK7PLK4ROCK2
SCHEMBL29652419 0.71 RIPK1 (0.66) RIPK1CDK8CDK7PLK4ROCK2
SCHEMBL298331 0.71 CDK8 (0.67) RIPK1CDK8CDK7PLK4ROCK2
SCHEMBL14365347 0.71 RIPK1 (0.65) RIPK1CDK8CDK7PLK4ROCK2
SCHEMBL858525 0.69 RIPK1 (1.00) RIPK1CDK8CDK7PLK4ROCK2
SCHEMBL4923675 0.69 RAB9A (0.40)

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 RIPK1 143/4885CDK8 525/4885CDK7 401/4885

“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.