SCHEMBL25675666

SCHEMBL25675666

C[C@@H]1CN(c2ccc(C(C)(C)C)cc2Cl)C[C@H](C)N1C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.39
TRPV1 Q8NER1 6/20 0.39
ALDH1A1 P00352 3/20 0.38
HTT P42858 1/20 0.38
HTR1D P28221 5/20 0.36
HTR1B P28222 5/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
RAD52 P43351 1/20 0.36
HSD11B1 P28845 1/20 0.35
HTR1A P08908 1/20 0.34
WDR5 P61964 2/20 0.33
HRH4 Q9H3N8 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
SCHEMBL24123784 0.84 TRPV1 (0.35) RECQLTRPV1ALDH1A1KDM4EMAPT
SCHEMBL25678498 0.84 TRPV1 (0.35) RECQLTRPV1ALDH1A1KDM4EMAPT
SCHEMBL19000980 0.83 ALDH1A1 (0.42) RECQLTRPV1ALDH1A1HTTLMNA
SCHEMBL25675662 0.83 HTT (0.48) RECQLTRPV1ALDH1A1HTTLMNA
SCHEMBL19001101 0.83 ALDH1A1 (0.42) RECQLTRPV1ALDH1A1HTTLMNA
SCHEMBL19012392 0.82 KMT2A (0.43) TRPV1ALDH1A1HTTLMNAKDM4E
SCHEMBL19012687 0.82 KMT2A (0.43) TRPV1ALDH1A1HTTLMNAKDM4E
SCHEMBL26406990 0.81 HSD11B1 (0.40) TRPV1ALDH1A1HTR1DHTR1BLMNA
SCHEMBL24123786 0.81 HSD11B1 (0.40) TRPV1ALDH1A1HTR1DHTR1BLMNA
SCHEMBL20180601 0.80 ALDH1A1 (0.41) RECQLALDH1A1HTTHTR1DHTR1B

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 RECQL 3066/4885TRPV1 3730/4885ALDH1A1 905/4885

“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.