SCHEMBL1668563

SCHEMBL1668563

Cc1ccc(S(=O)(=O)n2cc(Br)c3cccnc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.58
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.48
HTR6 P50406 2/20 0.46
CKS1B P61024 1/20 0.46
SKP2 Q13309 1/20 0.46
COMT P21964 2/20 0.45
ELANE P08246 1/20 0.45
KDM4E B2RXH2 1/20 0.45
UBE2N P61088 1/20 0.45
POLB P06746 1/20 0.44
ALDH3A1 P30838 1/20 0.44
HTT P42858 1/20 0.44
NOD1 Q9Y239 1/20 0.44
HSD11B1 P28845 2/20 0.42
PKM P14618 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP19A1 P11511 1/20 0.41

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
SCHEMBL29605109 1.00 L3MBTL1 (0.58) L3MBTL1CA1CA2PTGDR2HTR6
SCHEMBL1049380 0.87 HTR6 (0.55) L3MBTL1PTGDR2HTR6PKMCYP2C19
SCHEMBL16516197 0.87 L3MBTL1 (0.55) L3MBTL1CA1CA2PTGDR2HTR6
SCHEMBL1779514 0.86 L3MBTL1 (0.60) L3MBTL1PTGDR2HTR6COMTKDM4E
SCHEMBL13302164 0.85 L3MBTL1 (0.59) L3MBTL1PTGDR2HTR6COMTELANE
SCHEMBL12657360 0.84 L3MBTL1 (0.58) L3MBTL1PTGDR2HTR6COMTKDM4E
SCHEMBL28523210 0.84 L3MBTL1 (0.58) L3MBTL1PTGDR2HTR6COMTKDM4E
SCHEMBL9948819 0.83 HTR6 (0.55) L3MBTL1PTGDR2HTR6COMTKDM4E
SCHEMBL28325459 0.83 HTR6 (0.57) L3MBTL1PTGDR2HTR6COMTKDM4E
SCHEMBL257136 0.83 KDM4E (0.64) L3MBTL1CA2PTGDR2HTR6COMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115785134-A Boric acid compound containing nitrogen heterocycle, preparation method and application 浙大城市学院 2023-03-14 CN claimed
US-20150284388-A1 PROCESSES AND INTERMEDIATES FOR PRODUCING AZAINDOLES VERTEX PHARMACEUTICALS INCORPORATED 2015-10-08 US claimed
US-20150099884-A1 PROCESSES AND INTERMEDIATES FOR PRODUCING AZAINDOLES VERTEX PHARMACEUTICALS INCORPORATED 2015-04-09 US claimed
US-20140309421-A1 PROCESSES AND INTERMEDIATES FOR PRODUCING AZAINDOLES VERTEX PHARMACEUTICALS INCORPORATED 2014-10-16 US claimed
EP-2729465-A2 PROCESSES AND INTERMEDIATES FOR PRODUCING AZAINDOLES Vertex Pharmaceuticals Incorporated (US) 2014-05-14 EP claimed
US-8513414-B2 Processes and intermediates for producing azaindoles VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-20 US claimed
US-20130102782-A1 PROCESSES AND INTERMEDIATES FOR PRODUCING AZAINDOLES VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-25 US claimed
WO-2013006634-A9 PROCESSES AND INTERMEDIATES FOR PRODUCING AZAINDOLES VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-21 WO claimed
WO-2013006634-A2 PROCESSES AND INTERMEDIATES FOR PRODUCING AZAINDOLES VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-10 WO claimed
EP-4720058-A2 BIFUNCTIONAL DEGRADERS AND USES THEREOF Casma Therapeutics, Inc. (US) 2026-04-08 EP disclosed
WO-2024249291-A2 BIFUNCTIONAL DEGRADERS AND USES THEREOF CASMA THERAPEUTICS, INC. (US) 2024-12-05 WO disclosed
EP-4447954-A1 HETEROCYCLIC COMPOUNDS AS 5HT2A BIASED AGONISTS Icahn School of Medicine at Mount Sinai (US) 2024-10-23 EP disclosed
US-RE49851-E1 Pyridinylaminopyrimidine derivatives, preparation process and use thereof SHANGHAI ALLIST PHARMACEUTICALS CO., LTD. (CN) 2024-02-27 US disclosed
CN-117430589-A 2-aminopyrimidine compound or salt thereof, and preparation method and application thereof 励缔(杭州)医药科技有限公司 2024-01-23 CN 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-20150099884-A1 PROCESSES AND INTERMEDIATES FOR PRODUCING AZAINDOLES JAK2, JAK3, JAK1 L3MBTL1 4344/4885CA1 3890/4885CA2 3879/4885
US-20140309421-A1 PROCESSES AND INTERMEDIATES FOR PRODUCING AZAINDOLES JAK2, JAK3, JAK1 L3MBTL1 4344/4885CA1 3890/4885CA2 3879/4885
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 L3MBTL1 2920/4885CA1 2903/4885CA2 1107/4885
US-20130102782-A1 PROCESSES AND INTERMEDIATES FOR PRODUCING AZAINDOLES JAK2, JAK3, JAK1 L3MBTL1 4344/4885CA1 3890/4885CA2 3879/4885
US-20150284388-A1 PROCESSES AND INTERMEDIATES FOR PRODUCING AZAINDOLES JAK2, JAK3, JAK1 L3MBTL1 4344/4885CA1 3890/4885CA2 3879/4885

“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.