SCHEMBL24123771

SCHEMBL24123771

Cc1cc(N2CCN(C)CC2)cc(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 2/20 0.40
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
PTK2B Q14289 2/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
ESR2 Q92731 1/20 0.39
HTR3A P46098 1/20 0.39
HRH4 Q9H3N8 3/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
LMNA P02545 1/20 0.37
HSD11B1 P28845 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
SCHEMBL428031 0.84 ADRB1 (0.50) ALDH1A1
SCHEMBL12359403 0.82 MAPT (0.54) ADRA2CKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL10104382 0.82 KDM4E (0.37) ADRA2CKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL15315548 0.81 DRD2 (0.44) ALDH1A1GAAKMT2ALMNA
SCHEMBL15077174 0.81 ADRB1 (0.54) ADRA2CALDH1A1HTR3A
SCHEMBL15315531 0.81 LMNA (0.50) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL25675633 0.81 BCL2A1 (0.45) ADRA2CKDM4ERAB9ASMN1; SMN2MAPT
SCHEMBL15315532 0.81 ADRB1 (0.54) MAPTALDH1A1HTR3AHRH4
SCHEMBL24123773 0.81 NPC1 (0.41) ADRA2CKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL10104302 0.79 ADRB1 (0.45) ALDH1A1HRH4LMNA

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 ADRA2C 3496/4885KDM4E 881/4885NPC1 1293/4885

“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.