SCHEMBL25675720

SCHEMBL25675720

CN1CCC2(CC1)CCN(c1ccc(C(C)(C)C)cc1)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
ADRA2C P18825 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
PTK2B Q14289 1/20 0.42
ESR2 Q92731 1/20 0.42
HPGD P15428 2/20 0.41
ALOX15 P16050 1/20 0.41
USP2 O75604 4/20 0.41
CYP2D6 P10635 2/20 0.41
MAPK1 P28482 3/20 0.41
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2C9 P11712 3/20 0.41
LMNA P02545 1/20 0.40
HSD17B10 Q99714 2/20 0.40

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
SCHEMBL25675738 0.90 HSD11B1 (0.40) HSD11B1ALDH1A1KMT2AHPGDALOX15
SCHEMBL24124025 0.88 HSD11B1 (0.41) HSD11B1ALDH1A1MAPTKDM4EGAA
SCHEMBL14996515 0.85 HIF1A (0.48) ALDH1A1MAPTKDM4EGAAADRA2C
SCHEMBL270284 0.83 ALDH1A1 (0.59) HSD11B1ALDH1A1MAPTKDM4EGAA
SCHEMBL24123997 0.83 CYP2D6 (0.63) HSD11B1ALDH1A1KMT2AHPGDUSP2
SCHEMBL25675741 0.83 HSD11B1 (0.40) HSD11B1ALDH1A1MAPTKDM4EHPGD
SCHEMBL25675687 0.81 USP2 (0.44) HSD11B1ALDH1A1MAPTKDM4EHPGD
SCHEMBL22680902 0.81 MAPT (0.46) HSD11B1ALDH1A1MAPTKDM4EUSP2
SCHEMBL26418600 0.80 ADRB1 (0.50) ALDH1A1MAPTKDM4EGAAADRA2C
SCHEMBL20178041 0.79 HSD11B1 (0.57) HSD11B1ALDH1A1MAPTKDM4EGAA

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 2 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

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 789/4885ALDH1A1 905/4885MAPT 3522/4885

“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.