SCHEMBL25675729

SCHEMBL25675729

COc1cc(C(C)(C)C)ccc1N1CCC2(CCNCC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.64
CYP2D6 P10635 4/20 0.44
USP2 O75604 3/20 0.44
HTR3E A5X5Y0 3/20 0.43
HTR3B O95264 3/20 0.43
HTR3A P46098 3/20 0.43
HTR3D Q70Z44 3/20 0.43
HTR3C Q8WXA8 3/20 0.43
DRD3 P35462 2/20 0.43
HTR6 P50406 2/20 0.43
ADRB1 P08588 1/20 0.43
CYP2C19 P33261 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TSHR P16473 3/20 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
SCHEMBL24123850 0.90 DRD2 (0.49) DRD2HTR3EHTR3BHTR3AHTR3D
SCHEMBL25675728 0.87 SMN1; SMN2 (0.46) DRD2DRD3LMNAFFAR4TSHR
SCHEMBL24123581 0.86 HTR3A (0.58) DRD2HTR3EHTR3BHTR3AHTR3D
SCHEMBL24123858 0.84 DRD2 (0.48) DRD2CYP2D6USP2HTR3EHTR3B
SCHEMBL24124023 0.83 SMN1; SMN2 (0.42) DRD2DRD3LMNAFFAR4TSHR
SCHEMBL24123857 0.83 DRD2 (0.68) DRD2CYP2D6USP2HTR3EHTR3B
SCHEMBL25675730 0.83 DRD2 (0.47) DRD2CYP2D6USP2HTR3AADRB1
SCHEMBL25675717 0.82 DRD2 (0.46) DRD2CYP2D6USP2HTR3ADRD3
SCHEMBL26418647 0.81 DRD2 (0.65) DRD2CYP2D6USP2HTR3EHTR3B
SCHEMBL16437260 0.80 MEN1 (0.43) DRD2DRD3LMNAFFAR4TSHR

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 3 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

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 4356/4885CYP2D6 1876/4885USP2 4311/4885

“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.