SCHEMBL24123768

SCHEMBL24123768

CC(C)(C)c1ccc(N2CCC(N)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.49
HSD11B1 P28845 5/20 0.44
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 4/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
SMYD3 Q9H7B4 1/20 0.41
USP2 O75604 2/20 0.40
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
PRKDC P78527 1/20 0.38

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
SCHEMBL12666602 0.87 HRH3 (0.50) HRH3HSD11B1MAPK1L3MBTL1NPC1
SCHEMBL15996590 0.83 USP2 (0.54) HRH3HSD11B1MAPK1L3MBTL1NPC1
SCHEMBL20178041 0.82 HSD11B1 (0.57) HRH3HSD11B1MAPK1L3MBTL1NPC1
SCHEMBL16285249 0.81 HRH3 (0.52) HRH3HSD11B1MAPK1L3MBTL1NPC1
SCHEMBL1704614 0.81 NOTUM (0.54) HRH3CA12CA2CA9HRH4
SCHEMBL13132202 0.81 HRH3 (0.49) HRH3HSD11B1MAPK1L3MBTL1NPC1
SCHEMBL12388698 0.80 HRH3 (0.48) HRH3HSD11B1MAPK1L3MBTL1NPC1
Hydrochloric Acid SCHEMBL5220023 0.80 NOTUM (0.53) HRH3CA12CA2CA9HRH4
SCHEMBL17996262 0.79 HSD11B1 (0.52) HRH3HSD11B1MAPK1L3MBTL1NPC1
SCHEMBL24123764 0.79 HRH3 (0.47) HRH3HSD11B1MAPK1L3MBTL1NPC1

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 HRH3 3498/4885HSD11B1 789/4885MAPK1 33/4885

“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.