SCHEMBL24123773

SCHEMBL24123773

CN1CCN(c2cc(F)cc(C(C)(C)C)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADRA2C P18825 2/20 0.39
HSD11B1 P28845 1/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
PTK2B Q14289 2/20 0.38
GFER P55789 1/20 0.38
KMT2A Q03164 1/20 0.38
ESR2 Q92731 1/20 0.38
HRH4 Q9H3N8 4/20 0.38
HTR3A P46098 1/20 0.38
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL18255830 0.86 ADRB1 (0.50) NPC1LMNATP53RAB9ASMN1; SMN2
SCHEMBL12767812 0.86 HSD11B1 (0.37) NPC1TP53RAB9ASMN1; SMN2ALDH1A1
SCHEMBL19248969 0.83 NPC1 (0.49) NPC1LMNATP53RAB9ASMN1; SMN2
SCHEMBL15077174 0.83 ADRB1 (0.54) ALDH1A1ADRA2CHTR3A
SCHEMBL24123762 0.81 ADRB1 (0.57) ALDH1A1MAPTHRH4HTR3A
SCHEMBL24123771 0.81 ADRA2C (0.40) NPC1LMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL25675633 0.79 BCL2A1 (0.45) RAB9ASMN1; SMN2ALDH1A1ADRA2CHSD11B1
SCHEMBL25678184 0.77 ADRB1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1ADRA2C
SCHEMBL8263604 0.77 FFAR4 (0.45) NPC1LMNATP53RAB9ASMN1; SMN2
SCHEMBL24310111 0.75 NPC1 (0.46) NPC1LMNATP53RAB9ASMN1; SMN2

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 NPC1 1293/4885LMNA 4618/4885TP53 337/4885

“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.