SCHEMBL24916407

SCHEMBL24916407

CCc1cc(N2CCN(C(C)C)CC2)c2nc(C)cc(C(C)C)c2c1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR4 P46093 7/20 0.33
HRH3 Q9Y5N1 5/20 0.33
KCNH2 Q12809 4/20 0.33
HTR6 P50406 1/20 0.33
TLR9 Q9NR96 2/20 0.32
TLR8 Q9NR97 2/20 0.32
TLR7 Q9NYK1 2/20 0.32
KHK P50053 1/20 0.32
NCF1 P14598 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL24916055 0.89 DRD2 (0.41) HRH3KCNH2HTR6TLR9TLR8
SCHEMBL24916406 0.86 HPGD (0.42) KHKNCF1KDM4EALDH1A1MAPT
SCHEMBL24915689 0.82 TLR8 (0.35) TLR9TLR8TLR7HTR1A
SCHEMBL24916408 0.81 PIK3CD (0.33) TLR8TLR7HTR1A
SCHEMBL24915894 0.81 HTR1A (0.33) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL24915706 0.77
SCHEMBL24915707 0.76 SOS1 (0.36)
SCHEMBL24916053 0.70 DHFR (0.43) KDM4EMAPT
SCHEMBL24916054 0.70 HTR1B (0.41) HTR6KDM4EALDH1A1HTR1A
SCHEMBL24916056 0.69 KDM4E (0.34) KDM4EALDH1A1MAPT

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-20230026466-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-26 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-20230026466-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 GPR4 2608/4885HRH3 2562/4885KCNH2 4375/4885

“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.