SCHEMBL24123764

SCHEMBL24123764

CNC1CCN(c2ccc(C(C)(C)C)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.47
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
HSD11B1 P28845 5/20 0.42
MAPK1 P28482 2/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 1/20 0.41
MCHR1 Q99705 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HRH4 Q9H3N8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL5537698 0.85 NOTUM (0.50) HRH3MCHR1HRH4CA12CA2
SCHEMBL15996590 0.80 USP2 (0.54) HRH3MAPTLMNAHSD11B1MAPK1
SCHEMBL12666602 0.80 HRH3 (0.50) HRH3MAPTLMNAHSD11B1MAPK1
SCHEMBL8728954 0.80 ADRB1 (0.50) MAPTLMNAL3MBTL1NPC1MCHR1
SCHEMBL3440289 0.80 MAPT (0.55) MAPTLMNAMAPK1USP2TP53
SCHEMBL20178041 0.79 HSD11B1 (0.57) HRH3MAPTLMNAHSD11B1MAPK1
SCHEMBL785834 0.79 KMT2A (0.50) MAPTMAPK1KDM4EMEN1KMT2A
SCHEMBL22837853 0.79 LTA4H (0.41) MAPTUSP2L3MBTL1MCHR1ALDH1A1
SCHEMBL21590255 0.79 NPY5R (0.46) HRH3USP2L3MBTL1MCHR1HRH4
SCHEMBL8728952 0.79 L3MBTL3 (0.40) MAPTUSP2L3MBTL1MCHR1ALDH1A1

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 HRH3 3498/4885MAPT 3522/4885LMNA 4618/4885

“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.