SCHEMBL25675701

SCHEMBL25675701

CC(C)(C)c1ccc(N2CCC3(CC2)CNC3)c(CC(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 1/20 0.37
FFAR4 Q5NUL3 6/20 0.36
HRH3 Q9Y5N1 1/20 0.33
TSHR P16473 1/20 0.32
KIF11 P52732 1/20 0.32
KIF18A Q8NI77 1/20 0.31
AKT2 P31751 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
AKT1 P31749 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HTR1A P08908 1/20 0.30
HTR3A P46098 1/20 0.30
DRD2 P14416 2/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL25675705 0.89 KIF11 (0.33) TSHRKIF11
SCHEMBL25675700 0.86 FFAR4 (0.36) NPY2RFFAR4HRH3TSHRKIF18A
SCHEMBL25675623 0.84 HTR1A (0.43) HRH3SLC6A2SLC6A4HTR1AHTR3A
SCHEMBL24123840 0.80 DRD2 (0.38) NPY2RFFAR4HRH3KIF18ASLC6A2
SCHEMBL25675621 0.80 HRH3 (0.40) HRH3TSHRHTR1ADRD2DRD3
SCHEMBL24123837 0.80 HTR3A (0.40) NPY2RFFAR4HRH3KIF18AHTR1A
SCHEMBL24123841 0.79 NPY2R (0.44) NPY2RFFAR4HRH3KIF18AHTR1A
SCHEMBL25675702 0.77 TSHR (0.31) TSHRKIF11CYP2D6
SCHEMBL26418645 0.76 DRD2 (0.44) NPY2RTSHRKIF18ACYP3A4CYP2D6
SCHEMBL24123850 0.75 DRD2 (0.49) FFAR4HRH3TSHRCYP2C19HTR1A

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 2 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

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 4151/4885FFAR4 4458/4885HRH3 3498/4885

“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.