SCHEMBL24124015

SCHEMBL24124015

CN1CC2(CCN(c3ccc(C(C)(C)C)cc3F)CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
HSD11B1 P28845 1/20 0.37
FFAR4 Q5NUL3 2/20 0.35
KDM4E B2RXH2 1/20 0.34
CXCR3 P49682 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
ALDH1A1 P00352 4/20 0.33
KIF18A Q8NI77 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 3/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL10203090 0.92 DRD2 (0.37) DRD2DRD3HSD11B1FFAR4KDM4E
SCHEMBL25675716 0.90 DRD2 (0.42) DRD2DRD3HSD11B1FFAR4KDM4E
SCHEMBL25675693 0.87 HSD11B1 (0.34) DRD2DRD3HSD11B1KDM4EALDH1A1
SCHEMBL24123855 0.86 HSD11B1 (0.36) HSD11B1FFAR4KDM4EHTR1AALDH1A1
SCHEMBL25675691 0.84 KDM4E (0.40) DRD2DRD3HSD11B1FFAR4KDM4E
SCHEMBL24123840 0.84 DRD2 (0.38) DRD2DRD3HSD11B1FFAR4CXCR3
SCHEMBL25675717 0.82 DRD2 (0.46) DRD2DRD3HSD11B1FFAR4HTR1A
SCHEMBL10203257 0.82 ALDH1A1 (0.49) HSD11B1KDM4EALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL24124023 0.81 SMN1; SMN2 (0.42) DRD2DRD3FFAR4KDM4EHTR1A
SCHEMBL25675700 0.81 FFAR4 (0.36) DRD2DRD3FFAR4KIF18ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159540-A1 PYRAZOLO[3,4-d]PYRIMIDIN-3-ONE DERIVATIVE AS WEE-1 INHIBITOR PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE DERIVATIVE AS WEE-1 INHIBITOR (CN) 2023-05-25 US disclosed
US-20230159540-A1 PYRAZOLO[3,4-d]PYRIMIDIN-3-ONE DERIVATIVE AS WEE-1 INHIBITOR PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE DERIVATIVE AS WEE-1 INHIBITOR (CN) 2023-05-25 US disclosed
EP-4169919-A1 PYRAZOLO[3,4-D]PYRIMIDINE-3-KETONE DERIVATIVE AS WEE-1 INHIBITOR Wigen Biomedicine Technology (Shanghai) Co., Ltd. (CN) 2023-04-26 EP disclosed
WO-2021254389-A1 PYRAZOLO[3,4-D]PYRIMIDINE-3-KETONE DERIVATIVE AS WEE-1 INHIBITOR 微境生物医药科技(上海)有限公司 2021-12-23 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 (1 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-20230159540-A1 PYRAZOLO[3,4-d]PYRIMIDIN-3-ONE DERIVATIVE AS WEE-1 INHIBITOR WEE1, WEE2, PEAK1 DRD2 4356/4885DRD3 3875/4885HSD11B1 789/4885

“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.