SCHEMBL24123765

SCHEMBL24123765

Cc1cc(C(C)(C)C)ccc1N1CC(N(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.38
KDM4E B2RXH2 3/20 0.36
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
HTR3A P46098 1/20 0.33
HSD11B1 P28845 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL25675646 0.88 HRH4 (0.40) HRH3HTR3AHSD11B1HTR1DHTR1B
SCHEMBL25675644 0.88 HRH4 (0.40) HRH3HTR3AHSD11B1HTR1DHTR1B
SCHEMBL24123882 0.84 HTR2A (0.39) HRH3KDM4ECYP1A2CYP2C19HTR3A
SCHEMBL24123753 0.82 HCRTR1 (0.38) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL24123782 0.79 HTT (0.40) HTR3AHSD11B1ADRA2AADRA2BADRA2C
SCHEMBL19001117 0.79 ALDH1A1 (0.35) HRH3KDM4EHSD11B1ALDH1A1MEN1
SCHEMBL19001017 0.79 ALDH1A1 (0.35) HRH3KDM4EHSD11B1ALDH1A1MEN1
SCHEMBL25678639 0.79 KDM4E (0.35) HRH3KDM4EHSD11B1ALDH1A1MEN1
SCHEMBL19012691 0.77 SIGMAR1 (0.44) KDM4EALDH1A1MEN1GAAMAPT
SCHEMBL24123784 0.77 TRPV1 (0.35) HRH3KDM4EHSD11B1ALDH1A1MEN1

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
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 HRH3 3498/4885KDM4E 881/4885CYP1A2 2386/4885

“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.