Sugi Predict

Sugi Predict / Compounds / SCHEMBL1815442

SCHEMBL1815442

SCHEMBL1815442

CS(=O)(=O)CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.61
▸ LMNA P02545 1/20 0.56
▸ MAPT P10636 3/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ HTR1A P08908 2/20 0.55
▸ KCNJ1 P48048 1/20 0.54
▸ KCNH2 Q12809 1/20 0.54
▸ POLB P06746 3/20 0.54
▸ KMT2A Q03164 1/20 0.53
▸ CTSK P43235 1/20 0.52

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
SCHEMBL4264243 0.95 LMNA (0.61) SIRT6LMNAMAPTALDH1A1HTR1A
SCHEMBL18463446 0.88 SIRT6 (0.60) SIRT6LMNAMAPTALDH1A1HTR1A
SCHEMBL1045292 0.82 SIRT6 (0.69) SIRT6LMNAMAPTALDH1A1HTR1A
SCHEMBL918272 0.82 HTR1A (0.57) SIRT6LMNAMAPTALDH1A1HTR1A
SCHEMBL12431530 0.81 MAPT (0.70) SIRT6LMNAMAPTALDH1A1HTR1A
SCHEMBL1812454 0.81 MAPT (0.60) LMNAMAPTALDH1A1POLBKMT2A
SCHEMBL18418402 0.81 MAPT (0.55) LMNAMAPTALDH1A1HTR1AKMT2A
SCHEMBL2254367 0.81 MAPT (0.59) LMNAMAPTALDH1A1KCNJ1KCNH2
SCHEMBL6945690 0.80 SIRT6 (0.65) SIRT6LMNAMAPTALDH1A1HTR1A
SCHEMBL1642194 0.80 ALDH1A1 (0.68) LMNAMAPTALDH1A1KCNJ1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117486865-A Pyrimidine derivatives as kinase inhibitors 艾森医药公司 2024-02-02 — — CN disclosed
CN-112592334-B Pyrimidine derivatives as kinase inhibitors 艾森医药公司 2023-10-27 — — CN disclosed
CN-112592334-A Pyrimidine derivatives as kinase inhibitors 艾森生物科学公司 2021-04-02 — — CN disclosed
US-10562918-B2 Heterocyclic compounds and uses thereof ACEA Therapeutics, Inc. (US) 2020-02-18 — — US disclosed
EP-3019496-B1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS ACEA THERAPEUTICS INC (US) 2019-09-11 — — EP disclosed
US-20180251475-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA BIOSCIENCES INC. 2018-09-06 — — US disclosed
US-9920074-B2 Heterocyclic compounds and uses thereof ACEA BIOSCIENCES INC. (US) 2018-03-20 — — US disclosed
US-9920074-B2 Heterocyclic compounds and uses thereof ACEA BIOSCIENCES INC. (US) 2018-03-20 — — US disclosed
US-20170029442-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA Therapeutics, Inc. 2017-02-02 — — US disclosed
US-20170029442-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA Therapeutics, Inc. 2017-02-02 — — US disclosed
US-8329711-B2 Pyridone-substituted-dihydropyrazolopyrimidinone derivative MSD K.K. (JP) 2012-12-11 — — US disclosed
US-20110189130-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES SAGARA TAKESHI 2011-08-04 — — US disclosed
US-7935708-B2 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2011-05-03 — — US disclosed
US-7834019-B2 Substituted pyrazolo[3,4-d]pyrimidinone derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 — — US disclosed
US-20100221211-A1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD K.K. (JP) 2010-09-02 — — US disclosed
EP-2213673-A1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-08-04 — — EP disclosed
US-20100063024-A1 Dihydropyrazolopyrimidinone Derivatives MERCK SHARP & DOHME LLC 2010-03-11 — — US disclosed
CN-101432284-A Dihydropyrazolopyrimidinone derivative BANYU PHARMA CO LTD (JP) 2009-05-13 — — CN disclosed
EP-2017278-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-01-21 — — EP disclosed
US-20070254892-A1 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2007-11-01 — — 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 (7 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-20110189130-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE1, WEE2, GRK3 SIRT6 2429/4885LMNA 3734/4885MAPT 4041/4885
US-20100221211-A1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE WEE1, WEE2, CCNE1 SIRT6 1578/4885LMNA 1108/4885MAPT 4870/4885
US-20170029442-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BMX, BLK, BTK SIRT6 3912/4885LMNA 4138/4885MAPT 2803/4885
US-10562918-B2 Heterocyclic compounds and uses thereof BMX, BLK, BTK SIRT6 3912/4885LMNA 4138/4885MAPT 2803/4885
US-20100063024-A1 Dihydropyrazolopyrimidinone Derivatives WEE1, WEE2, GRK3 SIRT6 2429/4885LMNA 3734/4885MAPT 4041/4885
US-20070254892-A1 Dihydropyrazolopyrimidinone derivatives WEE1, WEE2, GRK3 SIRT6 2429/4885LMNA 3734/4885MAPT 4041/4885
US-20180251475-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BMX, BLK, BTK SIRT6 3912/4885LMNA 4138/4885MAPT 2803/4885

“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.