SCHEMBL23126554

SCHEMBL23126554

Cc1cccc(N2CCN(C)C2=O)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.51
HTR3B O95264 1/20 0.51
HTR3A P46098 1/20 0.51
HTR3D Q70Z44 1/20 0.51
HTR3C Q8WXA8 1/20 0.51
RECQL P46063 1/20 0.51
ALOX5 P09917 2/20 0.47
CRHR1 P34998 1/20 0.41
KCNH2 Q12809 2/20 0.40
GAA P10253 1/20 0.40
GRM4 Q14833 1/20 0.39
SCN9A Q15858 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
P2RX7 Q99572 2/20 0.37
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PDE10A Q9Y233 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAP3K5 Q99683 1/20 0.36

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
SCHEMBL23967032 0.82 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL19994351 0.82 ALOX5 (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL12427186 0.76 CRBN (0.53) ALOX5SCN9AKDM4EALDH1A1
SCHEMBL20909899 0.73 ALOX5 (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL20153301 0.73 RECQL (0.60) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16699290 0.72 CRHR1 (0.40) CRHR1GRM4SCN9ASCN10AKDM4E
SCHEMBL22832622 0.72 MAP3K5 (0.69) MAP3K5
SCHEMBL24405757 0.72 SCN9A (0.34) SCN9ASCN10AKDM4EPDE10A
SCHEMBL1811111 0.72 SCN9A (0.35) KCNH2SCN9ASCN10APDE10A
SCHEMBL20909898 0.72 RECQL (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C

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-10954253-B2 1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one derivative as Wee1 inhibitor Shijiazhuang Sagacity New Drug Development Co., Ltd. (CN) 2021-03-23 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-10954253-B2 1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one derivative as Wee1 inhibitor WEE1, WEE2, CCNE1 HTR3E 982/4885HTR3B 3295/4885HTR3A 3001/4885

“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.