SCHEMBL25675728

SCHEMBL25675728

COc1cc(C(C)(C)C)ccc1N1CCC2(CCN(C)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
DRD2 P14416 8/20 0.46
DRD3 P35462 7/20 0.44
FFAR4 Q5NUL3 3/20 0.43
MEN1 O00255 2/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTR1A P08908 3/20 0.39
HTR7 P34969 3/20 0.39
PDE4B Q07343 2/20 0.39
PDE7A Q13946 1/20 0.39
ALDH1A3 P47895 1/20 0.39
ERAP1 Q9NZ08 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL24124023 0.91 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1DRD2DRD3FFAR4
SCHEMBL24123580 0.87 DRD2 (0.57) SMN1; SMN2ALDH1A1DRD2DRD3MEN1
SCHEMBL25675729 0.87 DRD2 (0.64) SMN1; SMN2ALDH1A1DRD2DRD3FFAR4
SCHEMBL24123850 0.86 DRD2 (0.49) SMN1; SMN2ALDH1A1DRD2DRD3FFAR4
SCHEMBL24123866 0.83 HRH3 (0.39) SMN1; SMN2ALDH1A1FFAR4MEN1KMT2A
SCHEMBL16437260 0.82 MEN1 (0.43) SMN1; SMN2ALDH1A1DRD2DRD3FFAR4
SCHEMBL25678469 0.82 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1DRD2DRD3FFAR4
SCHEMBL24123992 0.82 DRD2 (0.49) SMN1; SMN2ALDH1A1DRD2DRD3LMNA
SCHEMBL24123990 0.82 KDM4E (0.44) SMN1; SMN2ALDH1A1DRD2DRD3FFAR4
SCHEMBL25678475 0.81 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1DRD2DRD3FFAR4

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 SMN1; SMN2 4220/4885ALDH1A1 905/4885DRD2 4356/4885

“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.