SCHEMBL4135021

SCHEMBL4135021

CS(=O)(=O)N1CCc2ccc([N+](=O)[O-])cc2C1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.58
KMT2A Q03164 4/20 0.54
MEN1 O00255 2/20 0.54
POLB P06746 1/20 0.54
ESR1 P03372 1/20 0.54
ESR2 Q92731 1/20 0.54
LMNA P02545 5/20 0.50
ALDH1A1 P00352 3/20 0.50
HRH3 Q9Y5N1 1/20 0.47
ADRA2A P08913 1/20 0.46
PNMT P11086 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RECQL P46063 1/20 0.43
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42

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
SCHEMBL30561523 1.00 AKR1C3 (0.58) AKR1C3KMT2AMEN1POLBESR1
SCHEMBL3187597 0.94 ESR1 (0.61) AKR1C3KMT2AMEN1POLBESR1
SCHEMBL2061544 0.91 ALDH1A1 (0.56) AKR1C3KMT2AMEN1POLBESR1
SCHEMBL22898424 0.88 LMNA (0.51) AKR1C3KMT2AMEN1POLBESR1
SCHEMBL29558059 0.80 ADRA2A (0.51) AKR1C3KMT2AMEN1POLBLMNA
SCHEMBL324724 0.80 ADRA2A (0.51) AKR1C3KMT2AMEN1POLBLMNA
Hydrochloric Acid SCHEMBL7832321 0.79 ADRA2A (0.50) AKR1C3KMT2AMEN1POLBLMNA
SCHEMBL6398959 0.78 AKR1C3 (0.56) AKR1C3KMT2AMEN1POLBLMNA
SCHEMBL22543772 0.77 ESR1 (0.60) AKR1C3KMT2AMEN1ESR1ESR2
SCHEMBL1946363 0.77 AKR1C3 (0.55) AKR1C3KMT2AMEN1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3661918-B1 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE ANALOGS RECURIUM IP HOLDINGS LLC (US) 2024-05-08 EP disclosed
CN-111094253-B 1, 2-dihydro-3H-pyrazolo [3,4-d ] pyrimidin-3-one analogs 里科瑞尔姆IP控股有限责任公司 2023-08-29 CN disclosed
US-20210317124-A1 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE ANALOGS RECURIUM IP HOLDINGS, LLC 2021-10-14 US disclosed
US-11124518-B2 L,2-dihydro-3H-pyrazolo[3,4-D]pyrimidin-3-one analogs RECURIUM IP HOLDINGS, LLC (US) 2021-09-21 US disclosed
EP-3661918-A1 1, 2 - DIHYDRO- 3H- PYRAZOLO [3, 4 - D]PYRIMIDIN -3 - ONE ANALOGS Recurium IP Holdings, LLC (US) 2020-06-10 EP disclosed
US-20200157112-A1 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE ANALOGS RECURIUM IP HOLDINGS, LLC 2020-05-21 US disclosed
CN-111094253-A 1, 2-dihydro-3H-pyrazolo [3,4-d ] pyrimidin-3-one analogs 里科瑞尔姆IP控股有限责任公司 2020-05-01 CN disclosed
WO-2019028008-A1 1, 2 - DIHYDRO- 3H- PYRAZOLO [3, 4 - D] PYRIMIDIN -3 - ONE ANALOGS Zeno Royalties & Milestones, LLC (US) 2019-02-07 WO disclosed
US-20090156601-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2009-06-18 US disclosed
EP-1945627-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2008-07-23 EP disclosed
WO-2007042806-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2007-04-19 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 (4 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-20200157112-A1 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE ANALOGS MKI67, BRCA1, CDK4 AKR1C3 996/4885KMT2A 3525/4885MEN1 1662/4885
US-20090156601-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER NR3C1, NR4A3, NR4A1 AKR1C3 453/4885KMT2A 3405/4885MEN1 2033/4885
US-20210317124-A1 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE ANALOGS MKI67, BRCA1, CDK4 AKR1C3 996/4885KMT2A 3525/4885MEN1 1662/4885
US-11124518-B2 L,2-dihydro-3H-pyrazolo[3,4-D]pyrimidin-3-one analogs MKI67, BRCA1, CCND1 AKR1C3 1228/4885KMT2A 3070/4885MEN1 2824/4885

“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.