SCHEMBL24123783

SCHEMBL24123783

C[C@@H]1CN(C)[C@@H](C)CN1c1ccc(C(C)(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.37
ACHE P22303 1/20 0.36
HSD11B1 P28845 7/20 0.36
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
TSHR P16473 1/20 0.33
EBP Q15125 1/20 0.33
MAPK1 P28482 1/20 0.33
PMM2 O15305 1/20 0.33
MPI P34949 1/20 0.33
PHOSPHO1 Q8TCT1 1/20 0.33
LMNA P02545 2/20 0.32
TYR P14679 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 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
SCHEMBL4940440 0.79 DRD2 (0.40) ACHECDK4CCND1MAPK1LMNA
SCHEMBL4940436 0.79 DRD2 (0.40) ACHECDK4CCND1MAPK1LMNA
SCHEMBL1048008 0.79 MAPT (0.40) CDK4CCND1MAPK1LMNAMAPT
SCHEMBL12424155 0.79 MAPT (0.40) CDK4CCND1MAPK1LMNAMAPT
SCHEMBL1048007 0.79 MAPT (0.40) CDK4CCND1MAPK1LMNAMAPT
SCHEMBL20231495 0.79 HSD11B1 (0.40) SIGMAR1ACHEHSD11B1TSHREBP
SCHEMBL13380438 0.78 MAPK1 (0.50) SIGMAR1CDK4CCND1MAPK1LMNA
SCHEMBL25675665 0.78 TRPV1 (0.34) SIGMAR1ACHEHSD11B1EBP
SCHEMBL25839417 0.76 L3MBTL1 (0.42) ACHECDK4CCND1MAPK1LMNA
SCHEMBL24124027 0.75 HSD11B1 (0.50) HSD11B1MAPK1MAPT

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
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 SIGMAR1 1585/4885ACHE 4859/4885HSD11B1 789/4885

“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.