SCHEMBL25675698

SCHEMBL25675698

CN1CC2(C1)CN(c1ccc(C(C)(C)C)cc1)C2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.40
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 2/20 0.36
NPC1 O15118 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TYR P14679 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HRH3 Q9Y5N1 3/20 0.34
GRIN2B Q13224 1/20 0.33

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
SCHEMBL25675741 0.86 HSD11B1 (0.40) HSD11B1HPGDALOX15MAPK1NPC1
SCHEMBL24124025 0.84 HSD11B1 (0.41) HSD11B1HPGDALOX15MAPK1NPC1
SCHEMBL25676492 0.80 LMNA (0.41) HSD11B1HPGDMAPK1NPC1L3MBTL1
SCHEMBL25675699 0.80 TSHR (0.40) HSD11B1HPGDMAPK1NPC1L3MBTL1
SCHEMBL25675738 0.80 HSD11B1 (0.40) HSD11B1HPGDALOX15MAPK1NPC1
SCHEMBL24352477 0.79 ADRB1 (0.44) HPGDMAPK1NPC1MAPTLMNA
SCHEMBL15931750 0.77 LMNA (0.45) HPGDMAPK1NPC1MAPTLMNA
SCHEMBL22179319 0.77 MAPT (0.57) HPGDALOX15MAPK1NPC1L3MBTL1
SCHEMBL22680900 0.77 HSD11B1 (0.42) HSD11B1MAPK1NPC1L3MBTL1MAPT
SCHEMBL15399858 0.77 LTA4H (0.36) HPGDMAPK1MAPTTSHRKDM4E

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 1 patent. 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

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 789/4885HPGD 1844/4885ALOX15 2303/4885

“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.