SCHEMBL24123784

SCHEMBL24123784

Cc1cc(C(C)(C)C)ccc1N1C[C@@H](C)N(C)[C@@H](C)C1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.35
KDM4E B2RXH2 3/20 0.35
RECQL P46063 1/20 0.34
HSD11B1 P28845 3/20 0.33
SIGMAR1 Q99720 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
SMN1; SMN2 Q16637 1/20 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
NR4A1 P22736 1/20 0.33
KMT2A Q03164 1/20 0.33
PTK2B Q14289 1/20 0.33
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
NR1H3 Q13133 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL25678498 1.00 TRPV1 (0.35) TRPV1KDM4ERECQLHSD11B1SIGMAR1
SCHEMBL25675666 0.84 RECQL (0.39) TRPV1KDM4ERECQLHSD11B1ALDH1A1
SCHEMBL25675674 0.83 TRPV1 (0.38) TRPV1KDM4ERECQLHSD11B1ALDH1A1
SCHEMBL25678603 0.83 TRPV1 (0.38) TRPV1KDM4ERECQLHSD11B1ALDH1A1
SCHEMBL24123786 0.83 HSD11B1 (0.40) TRPV1HSD11B1ALDH1A1
SCHEMBL24124028 0.83 TRPV1 (0.38) TRPV1KDM4ERECQLHSD11B1ALDH1A1
SCHEMBL26406990 0.83 HSD11B1 (0.40) TRPV1HSD11B1ALDH1A1
SCHEMBL24124029 0.83 HSD11B1 (0.48) KDM4ERECQLHSD11B1ALDH1A1HRH3
SCHEMBL19001017 0.82 ALDH1A1 (0.35) TRPV1KDM4ERECQLHSD11B1SIGMAR1
SCHEMBL19001117 0.82 ALDH1A1 (0.35) TRPV1KDM4ERECQLHSD11B1SIGMAR1

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 4 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
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 TRPV1 3730/4885KDM4E 881/4885RECQL 3066/4885

“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.