SCHEMBL21709596

SCHEMBL21709596

CCCc1ccc2nnccc2c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
PSMB5 P28074 2/20 0.36
TLR8 Q9NR97 4/20 0.35
PDE10A Q9Y233 1/20 0.34
NCEH1 Q6PIU2 2/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
ACVR1 Q04771 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
NPBWR1 P48145 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
HTR1D P28221 1/20 0.33

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
SCHEMBL12064495 0.85 CYP1A2 (0.44)
SCHEMBL19386431 0.81 ESR1 (0.37) PSMB5
SCHEMBL31579052 0.77 AKT1 (0.38)
SCHEMBL19386404 0.77 GABRA1 (0.40) PDE10A
SCHEMBL5528688 0.75 ALDH1A1 (0.55) PDE10AKCNH2HRH3
SCHEMBL29903898 0.75 ALDH1A1 (0.55) PDE10AKCNH2HRH3
SCHEMBL11453512 0.73 CYP1A2 (0.55) CNR1CNR2PSMB5PDE10AKCNH2
SCHEMBL21863360 0.71 CNR1 (0.47) CNR1CNR2PSMB5TLR8PDE10A
SCHEMBL3965668 0.71 TEC (0.40) CNR1CNR2PSMB5TLR8PDE10A
SCHEMBL7193556 0.71 CNR1 (0.54) CNR1CNR2NCEH1

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-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-13 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-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 CNR1 4303/4885CNR2 4409/4885PSMB5 3339/4885

“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.