SCHEMBL4160192

SCHEMBL4160192

COc1c(F)cc(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ncc(-c4ccccc4)cc23)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.47
BRD4 O60885 5/20 0.42
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
PTGS2 P35354 2/20 0.36
HTR6 P50406 2/20 0.36
PTGS1 P23219 1/20 0.36
POLB P06746 2/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL4169651 0.89 PTPN11 (0.56) PTPN11L3MBTL1BRD4PIM1PIM2
SCHEMBL16186641 0.81 PTPN11 (0.42) PTPN11L3MBTL1PIM1PIM2HTR6
SCHEMBL4171120 0.80 PTPN11 (0.75) PTPN11L3MBTL1BRD4
SCHEMBL15805448 0.80 PTPN11 (0.41) PTPN11L3MBTL1BRD4PIM1PIM2
SCHEMBL16023228 0.79 PTPN11 (0.42) PTPN11L3MBTL1BRD4PIM1PIM2
SCHEMBL4171140 0.79 PTPN11 (0.51) PTPN11L3MBTL1BRD4PIM1PIM2
SCHEMBL17200871 0.79 KDR (0.51) PTPN11BRD4MAPTHTR6DRD2
SCHEMBL4159580 0.79 PTPN11 (0.56) PTPN11L3MBTL1BRD4ALDH1A1LMNA
SCHEMBL15805188 0.78 PTPN11 (0.43) PTPN11L3MBTL1BRD4PIM1PIM2
SCHEMBL15805403 0.78 PTPN11 (0.43) PTPN11L3MBTL1BRD4PIM1PIM2

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 PTPN11 641/4885L3MBTL1 4480/4885BRD4 939/4885
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines SGK1, SGK2, SGK3 PTPN11 609/4885L3MBTL1 4474/4885BRD4 767/4885

“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.