SCHEMBL6729175

SCHEMBL6729175

CC(C)(C)[Si](C)(C)OCCN1CCc2ccc(N)cc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.44
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
ABCB1 P08183 5/20 0.37
HRH3 Q9Y5N1 1/20 0.37
ABCG2 Q9UNQ0 2/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL30561513 1.00 NR1H2 (0.44) NR1H2DRD2DRD3ABCB1HRH3
SCHEMBL20704242 0.95 NR1H2 (0.39) NR1H2DRD2DRD3ABCB1HRH3
SCHEMBL30561518 0.95 NR1H2 (0.39) NR1H2DRD2DRD3ABCB1HRH3
SCHEMBL17797689 0.90 NR1H2 (0.37) NR1H2
SCHEMBL30561530 0.83 KDM4E (0.50) DRD2DRD3HRH3POLBKDM4E
SCHEMBL29080709 0.83 KDM4E (0.50) DRD2DRD3HRH3POLBKDM4E
SCHEMBL6294904 0.81 DRD2 (0.52) DRD2ABCB1ABCG2MAPTLMNA
SCHEMBL30561511 0.81 DRD2 (0.52) DRD2ABCB1ABCG2MAPTLMNA
SCHEMBL1951288 0.80 ABCB1 (0.45) NR1H2DRD2DRD3ABCB1HRH3
SCHEMBL7800083 0.77 HRH3 (0.41) HRH3KDM4EMEN1KMT2ACYP1A2

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-20040209912-A1 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. 2004-10-21 US disclosed
US-20030144320-A1 For treatment and/or prevention of anxiety, mania, depression, panic disorders, nerve sustem disorders SMITHKLINE BEECHAM P.L.C. 2003-07-31 US disclosed
US-20010016657-A1 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. 2001-08-23 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-20200157112-A1 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE ANALOGS MKI67, BRCA1, CDK4 NR1H2 1001/4885DRD2 3727/4885DRD3 3482/4885
US-20040209912-A1 Substituted isoquinoline derivatives and their use as anticonvulsants INA, GRIN2C, GRIN2A NR1H2 1169/4885DRD2 177/4885DRD3 379/4885
US-20010016657-A1 Substituted isoquinoline derivatives and their use as anticonvulsants INA, GRIN2C, GRIN2A NR1H2 1169/4885DRD2 177/4885DRD3 379/4885
US-20210317124-A1 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE ANALOGS MKI67, BRCA1, CDK4 NR1H2 1001/4885DRD2 3727/4885DRD3 3482/4885
US-11124518-B2 L,2-dihydro-3H-pyrazolo[3,4-D]pyrimidin-3-one analogs MKI67, BRCA1, CCND1 NR1H2 688/4885DRD2 3388/4885DRD3 3392/4885
US-20030144320-A1 For treatment and/or prevention of anxiety, mania, depression, panic disorders, nerve sustem disorders PNMT, SLC6A2, GABBR1 NR1H2 2998/4885DRD2 141/4885DRD3 274/4885

“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.