SCHEMBL24123786

SCHEMBL24123786

C[C@@H]1CN(c2ccc(C(C)(C)C)cc2C(F)(F)F)C[C@H](C)N1C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 12/20 0.40
WDR5 P61964 4/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
NOTUM Q6P988 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 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
SCHEMBL26406990 1.00 HSD11B1 (0.40) HSD11B1WDR5ALDH1A1LMNATRPV1
SCHEMBL17708166 0.84 LMNA (0.39) HSD11B1ALDH1A1LMNANOTUM
SCHEMBL25678510 0.84 HTR2C (0.40) HSD11B1ALDH1A1LMNATRPV1NOTUM
SCHEMBL24123784 0.83 TRPV1 (0.35) HSD11B1ALDH1A1TRPV1
SCHEMBL25678498 0.83 TRPV1 (0.35) HSD11B1ALDH1A1TRPV1
SCHEMBL20180600 0.82 WDR5 (0.41) HSD11B1WDR5NOTUMHTR1DHTR1B
SCHEMBL25675666 0.81 RECQL (0.39) HSD11B1WDR5ALDH1A1LMNATRPV1
SCHEMBL16541456 0.81 TP53 (0.44) HSD11B1WDR5ALDH1A1NOTUMHTR1D
SCHEMBL12139619 0.79 ASIC3 (0.51) HSD11B1ALDH1A1
SCHEMBL17708167 0.78 CYP1A2 (0.43) HSD11B1ALDH1A1LMNANOTUM

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
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 HSD11B1 789/4885WDR5 255/4885ALDH1A1 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.