SCHEMBL8259448

SCHEMBL8259448

O=C(Oc1cccc(-c2cnc3[nH]ccc3c2)c1)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 18/20 0.59
CDK7 P50613 2/20 0.58
MAP4K4 O95819 2/20 0.58
CHEK2 O96017 2/20 0.58
CDK1 P06493 2/20 0.58
FES P07332 2/20 0.58
ROS1 P08922 2/20 0.58
FER P16591 2/20 0.58
FLT4 P35916 2/20 0.58
KDR P35968 2/20 0.58
IRAK1 P51617 2/20 0.58
ROCK1 Q13464 2/20 0.58
PKN2 Q16513 2/20 0.58
MARK2 Q7KZI7 2/20 0.58
MINK1 Q8N4C8 2/20 0.58
AURKB Q96GD4 2/20 0.58
SLK Q9H2G2 2/20 0.58
MKNK2 Q9HBH9 2/20 0.58
STK17A Q9UEE5 2/20 0.58
MAP4K5 Q9Y4K4 2/20 0.58

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
SCHEMBL858340 0.82 CDK8 (0.58) CDK8CDK7MAP4K4CHEK2CDK1
SCHEMBL4160515 0.80 CDK8 (0.49) CDK8CHEK2CDK1FESROS1
SCHEMBL857188 0.77 CDK8 (0.66) CDK8CDK7MAP4K4CHEK2CDK1
SCHEMBL13854141 0.76 CDK8 (0.61) CDK8CDK7MAP4K4CHEK2CDK1
SCHEMBL3136284 0.74 CDK8 (0.71) CDK8CDK7MAP4K4CHEK2CDK1
SCHEMBL299518 0.74 CDK8 (1.00) CDK8CDK7MAP4K4CHEK2CDK1
SCHEMBL857070 0.74 CDK8 (1.00) CDK8CDK7MAP4K4CHEK2CDK1
SCHEMBL30368585 0.74 CDK8 (1.00) CDK8CDK7MAP4K4CHEK2CDK1
SCHEMBL31064962 0.73 RIPK1 (0.69) CDK8CDK7MAP4K4CHEK2CDK1
SCHEMBL4165829 0.73 RIPK1 (0.69) CDK8CDK7MAP4K4CHEK2CDK1

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 5 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-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
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 CDK8 525/4885CDK7 401/4885MAP4K4 76/4885
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines SGK1, SGK2, SGK3 CDK8 639/4885CDK7 446/4885MAP4K4 61/4885

“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.