SCHEMBL25675715

SCHEMBL25675715

CC(C)(C)c1ccc(N2CC3(CNC3)C2)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 1/20 0.36
TRPV1 Q8NER1 4/20 0.36
HSD11B1 P28845 2/20 0.35
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MAPT P10636 3/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 1/20 0.32
RAD52 P43351 1/20 0.32
HTR1A P08908 1/20 0.32
HTR3A P46098 1/20 0.32
BCL2A1 Q16548 1/20 0.32
ALDH1A1 P00352 3/20 0.31
HTT P42858 2/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL24123841 0.88 NPY2R (0.44) NPY2RTRPV1HSD11B1HRH4HRH3
SCHEMBL25675697 0.85 HTR3E (0.35) HSD11B1HRH4HRH3MAPTKDM4E
SCHEMBL25675713 0.84 MAPT (0.39) TRPV1HSD11B1HRH4MAPTCYP2C19
SCHEMBL25675695 0.82 KIF11 (0.33) HSD11B1HRH4HRH3
SCHEMBL25675711 0.80 DDB1 (0.37) MAPTCYP2C19KDM4EHTR3AALDH1A1
SCHEMBL12139691 0.78 ADRB1 (0.51) HSD11B1HRH4HRH3CYP2C19HTR1A
SCHEMBL25675730 0.77 DRD2 (0.47) NPY2RHSD11B1HRH4HRH3CYP2C19
SCHEMBL25675705 0.77 KIF11 (0.33)
SCHEMBL25675691 0.75 KDM4E (0.40) NPY2RTRPV1HSD11B1HRH3MAPT
SCHEMBL24123837 0.75 HTR3A (0.40) NPY2RHSD11B1HRH4HRH3MAPT

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 1 patent. 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

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 NPY2R 4151/4885TRPV1 3730/4885HSD11B1 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.