Sugi Predict

Sugi Predict / Compounds / SCHEMBL4159580

SCHEMBL4159580

SCHEMBL4159580

Cc1ccc(S(=O)(=O)n2cc(-c3ccc(C#N)cc3)c3cc(-c4ccccc4)cnc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 2/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ KDM1A O60341 4/20 0.43
▸ BRD4 O60885 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ HTR6 P50406 2/20 0.40
▸ CCR6 P51684 1/20 0.39
▸ PAX8 Q06710 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ SLC22A12 Q96S37 1/20 0.38
▸ ACLY P53396 1/20 0.37

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
SCHEMBL31396556 0.86 PTPN11 (0.47) PTPN11L3MBTL1KDM1AALDH1A1LMNA
SCHEMBL4171120 0.85 PTPN11 (0.75) PTPN11L3MBTL1BRD4MAP4K4
SCHEMBL4152461 0.81 PTPN11 (0.53) PTPN11L3MBTL1BRD4ALDH1A1LMNA
SCHEMBL13745848 0.81 BRD4 (0.58) PTPN11BRD4HTR6CCR6PAX8
SCHEMBL23247251 0.80 L3MBTL1 (0.58) PTPN11L3MBTL1BRD4ALDH1A1LMNA
SCHEMBL1516754 0.80 PTPN11 (0.43) PTPN11L3MBTL1BRD4ALDH1A1LMNA
SCHEMBL31396630 0.80 CHEK1 (0.49) PTPN11KDM1AMAOAMAOBKCNH2
SCHEMBL13746277 0.80 PTPN11 (0.41) PTPN11BRD4HTR6CCR6CA12
SCHEMBL20396883 0.80 PTPN11 (0.45) PTPN11L3MBTL1KDM1ABRD4ALDH1A1
SCHEMBL31396482 0.80 PTPN11 (0.45) PTPN11L3MBTL1KDM1ABRD4ALDH1A1

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 7 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-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
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 PTPN11 641/4885L3MBTL1 4480/4885KDM1A 1517/4885
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines SGK1, SGK2, SGK3 PTPN11 609/4885L3MBTL1 4474/4885KDM1A 1401/4885

“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.