Sugi Predict

Sugi Predict / Compounds / SCHEMBL1668571

SCHEMBL1668571

SCHEMBL1668571

Cc1ccc(S(=O)(=O)n2cc(B3OC(C)(C)C(C)(C)O3)c3cc(-c4cccnc4)cnc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.42
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ BRD4 O60885 5/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ GBA1 P04062 1/20 0.36
▸ CKS1B P61024 1/20 0.35
▸ SKP2 Q13309 1/20 0.35
▸ CYP2A6 P11509 1/20 0.34
▸ PTGS2 P35354 2/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ CYP19A1 P11511 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL3502348 0.84 PTPN11 (0.40) PTPN11BRD4SMN1; SMN2L3MBTL1CYP19A1
SCHEMBL22330422 0.83 BRD4 (0.39) PTPN11BRD4SMN1; SMN2L3MBTL1CYP19A1
SCHEMBL15702500 0.83 CYP11B1 (0.42) PTPN11CYP11B1CYP11B2BRD4SMN1; SMN2
SCHEMBL1891374 0.82 L3MBTL1 (0.49) L3MBTL1CYP19A1
SCHEMBL29604912 0.82 L3MBTL1 (0.49) L3MBTL1CYP19A1
SCHEMBL2124811 0.82 CYP3A4 (0.39) PTPN11BRD4SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL21886181 0.82 PTPN11 (0.38) PTPN11BRD4SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL18270849 0.82 PTPN11 (0.38) PTPN11BRD4SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL2126011 0.82 PTPN11 (0.38) PTPN11BRD4L3MBTL1
SCHEMBL26969420 0.82 PTPN11 (0.38) PTPN11BRD4SMN1; SMN2L3MBTL1PTGS2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152103-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2015-06-04 — — US disclosed
US-8987454-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-03-24 — — US disclosed
EP-2786995-A1 Azaindoles useful as inhibitors of JAK and other protein kinases Vertex Pharmaceuticals Incorporated (US) 2014-10-08 — — EP disclosed
US-20140249138-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-04 — — US disclosed
EP-2311837-B1 Azaindoles useful as inhibitors of jak and other protein kinases VERTEX PHARMA (US) 2014-05-21 — — EP disclosed
US-8722889-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-05-13 — — US disclosed
US-20130345197-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-12-26 — — US disclosed
US-8501446-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-06 — — US disclosed
US-8501446-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-06 — — US disclosed
EP-2332940-B1 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMA (US) 2012-10-31 — — EP disclosed
EP-2311837-A1 Azaindoles useful as inhibitors of jak and other protein kinases Vertex Pharmaceuticals Incorporated (US) 2011-04-20 — — EP disclosed
US-20090176763-A1 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 — — US disclosed
US-20090176763-A1 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 — — US disclosed
US-7507826-B2 Such as 3-(2-Methanesulfonyl-pyrimidin-4-yl)-5-pyridin-3-yl-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine; heart disease, diabetes, Alzheimer's disease, immunodeficiency disorders, inflammatory diseases, hypertension, allergic diseases, autoimmune diseases, destructive bone disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-03-24 — — US disclosed
US-7507826-B2 Such as 3-(2-Methanesulfonyl-pyrimidin-4-yl)-5-pyridin-3-yl-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine; heart disease, diabetes, Alzheimer's disease, immunodeficiency disorders, inflammatory diseases, hypertension, allergic diseases, autoimmune diseases, destructive bone disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-03-24 — — US disclosed
US-20070043063-A1 Such as 3-(2-Methanesulfonyl-pyrimidin-4-yl)-5-pyridin-3-yl-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine; heart disease, diabetes, Alzheimer's disease, immunodeficiency disorders, inflammatory diseases, hypertension, allergic diseases, autoimmune diseases, destructive bone disorders VERTEX PHARMACEUTICALS INCORPORATED 2007-02-22 — — US disclosed
US-20070043063-A1 Such as 3-(2-Methanesulfonyl-pyrimidin-4-yl)-5-pyridin-3-yl-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine; heart disease, diabetes, Alzheimer's disease, immunodeficiency disorders, inflammatory diseases, hypertension, allergic diseases, autoimmune diseases, destructive bone disorders VERTEX PHARMACEUTICALS INCORPORATED 2007-02-22 — — US disclosed
US-20070043063-A1 Such as 3-(2-Methanesulfonyl-pyrimidin-4-yl)-5-pyridin-3-yl-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine; heart disease, diabetes, Alzheimer's disease, immunodeficiency disorders, inflammatory diseases, hypertension, allergic diseases, autoimmune diseases, destructive bone disorders VERTEX PHARMACEUTICALS INCORPORATED 2007-02-22 — — US disclosed
EP-1730146-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2006-12-13 — — EP disclosed
WO-2005095400-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-10-13 — — 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 (5 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-20090176763-A1 Azaindoles useful as inhibitors of JAK and other protein kinases JAK3, JAK2, JAK1 PTPN11 409/4885CYP11B1 2820/4885CYP11B2 2625/4885
US-20150152103-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES JAK3, JAK2, JAK1 PTPN11 409/4885CYP11B1 2820/4885CYP11B2 2625/4885
US-20070043063-A1 Such as 3-(2-Methanesulfonyl-pyrimidin-4-yl)-5-pyridin-3-yl-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine; heart disease, diabetes, Alzheimer's disease, immunodeficiency disorders, inflammatory diseases, hypertension, allergic diseases, autoimmune diseases, destructive bone disorders LCK, PDXK, CHUK PTPN11 591/4885CYP11B1 1699/4885CYP11B2 1953/4885
US-20130345197-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES JAK3, JAK2, JAK1 PTPN11 409/4885CYP11B1 2820/4885CYP11B2 2625/4885
US-20140249138-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES JAK3, JAK2, JAK1 PTPN11 409/4885CYP11B1 2820/4885CYP11B2 2625/4885

“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.