Sugi Predict

Sugi Predict / Compounds / SCHEMBL260617

SCHEMBL260617

SCHEMBL260617

Cc1ccc(S(=O)(=O)n2ccc3c(C)ncnc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.55
▸ POLB P06746 1/20 0.43
▸ ALDH3A1 P30838 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ NOD1 Q9Y239 1/20 0.43
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RAPGEF4 Q8WZA2 1/20 0.42
▸ PKM P14618 2/20 0.41
▸ GBA1 P04062 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ BRD4 O60885 1/20 0.40
▸ HTR6 P50406 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ UBE2N P61088 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL16271835 0.88 CYP2C19 (0.51) L3MBTL1HTTBRD4HTR6TSHR
SCHEMBL4075074 0.86 L3MBTL1 (0.52) L3MBTL1POLBALDH3A1HTTNOD1
SCHEMBL28622254 0.86 L3MBTL1 (0.52) L3MBTL1POLBALDH3A1HTTNOD1
SCHEMBL14427677 0.86 L3MBTL1 (0.52) L3MBTL1POLBALDH3A1HTTNOD1
SCHEMBL1356181 0.86 L3MBTL1 (0.52) L3MBTL1POLBALDH3A1HTTNOD1
SCHEMBL30752005 0.86 L3MBTL1 (0.52) L3MBTL1POLBALDH3A1HTTNOD1
SCHEMBL3391209 0.83 L3MBTL1 (0.50) L3MBTL1POLBALDH3A1HTTNOD1
SCHEMBL13494114 0.83 L3MBTL1 (0.50) L3MBTL1POLBALDH3A1HTTNOD1
SCHEMBL5411086 0.83 L3MBTL1 (0.50) L3MBTL1POLBALDH3A1HTTNOD1
SCHEMBL4012555 0.82 L3MBTL1 (0.49) L3MBTL1POLBALDH3A1HTTNOD1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113336761-B Preparation method of JAK inhibitor key intermediate 山东莱福科技发展有限公司 2022-07-29 — — CN disclosed
CN-113336761-B Preparation method of JAK inhibitor key intermediate 山东莱福科技发展有限公司 2022-07-29 — — CN disclosed
CN-113336761-A Preparation method of JAK inhibitor key intermediate 山东莱福科技发展有限公司 2021-09-03 — — CN disclosed
CN-113336761-A Preparation method of JAK inhibitor key intermediate 山东莱福科技发展有限公司 2021-09-03 — — CN disclosed
US-9271981-B2 Pyrrolo[2,3-D]pyrimidine compounds ZOETIS SERVICES LLC (US) 2016-03-01 — — US disclosed
US-20150374701-A1 PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS ZOETIS SERVICES LLC (US) 2015-12-31 — — US disclosed
US-9161939-B2 Pyrrolo[2,3-d]pyrimidine compounds ZOETIS SERVICES LLC (US) 2015-10-20 — — US disclosed
US-20150148357-A1 PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS ZOETIS SERVICES LLC 2015-05-28 — — US disclosed
US-8987283-B2 Pyrrolo[2,3-D]pyrimidine compounds ZOETIS LLC (US) 2015-03-24 — — US disclosed
US-20140171454-A1 Substituted Pyrrolo[2,3-d]pyrimidines as Inhibitors of Protein Kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-19 — — US disclosed
EP-2384326-B1 PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS ZOETIS LLC (US) 2014-04-23 — — EP disclosed
US-8633205-B2 Substituted pyrrolo[2,3-d]pyrimidines as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 — — US disclosed
US-20120122901-A1 PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS PFIZER INC. (US) 2012-05-17 — — US disclosed
US-8133899-B2 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. (US) 2012-03-13 — — US disclosed
EP-2384326-A1 PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS Pfizer Inc. (US) 2011-11-09 — — EP disclosed
US-20100075996-A1 PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS PFIZER INC. (US) 2010-03-25 — — US disclosed
WO-2010020905-A1 PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS PFIZER INC. (US) 2010-02-25 — — WO disclosed
WO-2007117494-A1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-18 — — WO disclosed
US-20070004762-A9 Pyrrolopyrimidines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2007-01-04 — — 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 (6 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-20120122901-A1 PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS JAK3, JAK1, JAK2 L3MBTL1 4480/4885POLB 316/4885ALDH3A1 2256/4885
US-20150374701-A1 PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS JAK3, JAK1, JAK2 L3MBTL1 4480/4885POLB 316/4885ALDH3A1 2256/4885
US-20070004762-A9 Pyrrolopyrimidines useful as inhibitors of protein kinase PRKDC, MAP3K20, MAP3K5 L3MBTL1 2911/4885POLB 789/4885ALDH3A1 3484/4885
US-20100075996-A1 PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS JAK3, JAK1, JAK2 L3MBTL1 4480/4885POLB 316/4885ALDH3A1 2256/4885
US-20140171454-A1 Substituted Pyrrolo[2,3-d]pyrimidines as Inhibitors of Protein Kinases PRKDC, DCK, CDK2 L3MBTL1 2823/4885POLB 755/4885ALDH3A1 2728/4885
US-20150148357-A1 PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS JAK3, JAK1, JAK2 L3MBTL1 4480/4885POLB 316/4885ALDH3A1 2256/4885

“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.