SCHEMBL4137572

SCHEMBL4137572

CS(=O)(=O)N1CCc2ccc(N)cc2C1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.59
ESR2 Q92731 3/20 0.59
HRH3 Q9Y5N1 4/20 0.51
NR1H2 P55055 1/20 0.48
PDK2 Q15119 1/20 0.46
CA7 P43166 1/20 0.45
KDM2B Q8NHM5 1/20 0.42
CYP2D6 P10635 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
SYK P43405 1/20 0.40
AKR1C3 P42330 1/20 0.40
RYR2 Q92736 1/20 0.40
PKM P14618 1/20 0.39

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
SCHEMBL30534601 1.00 ESR1 (0.59) ESR1ESR2HRH3NR1H2PDK2
SCHEMBL3185585 0.94 ESR2 (0.68) ESR1ESR2HRH3NR1H2PDK2
SCHEMBL2060640 0.90 ESR2 (0.54) ESR1ESR2HRH3NR1H2PDK2
SCHEMBL15651977 0.87 CA7 (0.55) ESR1ESR2HRH3NR1H2PDK2
SCHEMBL29843388 0.87 CA7 (0.55) ESR1ESR2HRH3NR1H2PDK2
SCHEMBL22271453 0.86 PDK2 (0.54) ESR1ESR2HRH3NR1H2PDK2
SCHEMBL15650896 0.83 NR1H2 (0.45) ESR1ESR2HRH3NR1H2PDK2
SCHEMBL22543772 0.82 ESR1 (0.60) ESR1ESR2HRH3CA7KDM2B
SCHEMBL3181883 0.81 ESR2 (0.88) ESR1ESR2HRH3PDK2KDM2B
SCHEMBL1265548 0.81 ESR1 (0.63) ESR1ESR2HRH3CA7KDM2B

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 10 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
CN-116462680-A Antitumor compound and application thereof 南京大美生物制药有限公司 2023-07-21 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

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 ESR1 560/4885ESR2 346/4885HRH3 3760/4885
US-20090156601-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER NR3C1, NR4A3, NR4A1 ESR1 585/4885ESR2 340/4885HRH3 336/4885
US-20210317124-A1 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE ANALOGS MKI67, BRCA1, CDK4 ESR1 560/4885ESR2 346/4885HRH3 3760/4885
US-11124518-B2 L,2-dihydro-3H-pyrazolo[3,4-D]pyrimidin-3-one analogs MKI67, BRCA1, CCND1 ESR1 664/4885ESR2 244/4885HRH3 3839/4885

“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.