SCHEMBL4152461

SCHEMBL4152461

Cc1ccc(S(=O)(=O)n2cc(-c3ccc(-c4nnn[nH]4)cc3)c3cc(-c4ccccc4)cnc32)cc1

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 6/20 0.41
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR6 P50406 2/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
PDPK1 O15530 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
CD4 P01730 2/20 0.34
POLB P06746 1/20 0.34
ALDH3A1 P30838 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL4171140 0.90 PTPN11 (0.51) PTPN11L3MBTL1BRD4ALDH1A1LMNA
SCHEMBL4171120 0.82 PTPN11 (0.75) PTPN11L3MBTL1BRD4
SCHEMBL4159580 0.81 PTPN11 (0.56) PTPN11L3MBTL1BRD4ALDH1A1LMNA
SCHEMBL23247251 0.77 L3MBTL1 (0.58) PTPN11L3MBTL1BRD4ALDH1A1LMNA
SCHEMBL4169651 0.76 PTPN11 (0.56) PTPN11L3MBTL1BRD4SMN1; SMN2
SCHEMBL4163963 0.76 PTPN11 (0.52) PTPN11L3MBTL1BRD4ALDH1A1LMNA
SCHEMBL1850782 0.76 BRD4 (0.64) PTPN11L3MBTL1BRD4ALDH1A1LMNA
SCHEMBL4160192 0.76 PTPN11 (0.53) PTPN11L3MBTL1BRD4ALDH1A1LMNA
SCHEMBL17200871 0.76 KDR (0.51) PTPN11BRD4MAPTHTR6MEN1
SCHEMBL23247697 0.75 L3MBTL1 (0.55) PTPN11L3MBTL1BRD4ALDH1A1LMNA

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 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.