SCHEMBL6759857

SCHEMBL6759857

O=C(Nc1cccc(-c2cncnc2)c1)c1cccc(-c2cccs2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.56
HCK P08631 1/20 0.51
NR2C2 P49116 1/20 0.51
BTK Q06187 1/20 0.51
EPHA2 P29317 1/20 0.49
HTT P42858 1/20 0.49
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
AURKA O14965 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
KAT6A Q92794 2/20 0.47
HTR1A P08908 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CCKAR P32238 1/20 0.47
HTR5A P47898 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SIRT2 Q8IXJ6 3/20 0.46

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
SCHEMBL6757923 0.78 MEN1 (0.49) HCKNR2C2BTKEPHA2HTT
SCHEMBL27519956 0.78 HCK (0.48) HCKNR2C2BTKEPHA2HTT
SCHEMBL6834840 0.78 FYN (0.51) HCKNR2C2BTKEPHA2HTR1A
SCHEMBL12190992 0.77 HCK (0.55) HCKNR2C2BTKEPHA2HTT
SCHEMBL7471000 0.76 MEN1 (0.48) HCKNR2C2BTKKAT6AHTR1A
SCHEMBL6759881 0.76 EPHA2 (0.49) HCKNR2C2BTKEPHA2KAT6A
SCHEMBL6756711 0.75 FYN (0.48) HCKNR2C2BTKEPHA2HTR1A
SCHEMBL4580033 0.74 HDAC1 (0.82) HDAC3HDAC1HDAC2
SCHEMBL592446 0.73 NQO2 (0.66) HDAC3HDAC1HDAC2HTR1AADORA3
SCHEMBL4089121 0.73 HDAC1 (0.51) HDAC3HDAC1HDAC2HTR1AADORA3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040087798-A1 Novel amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 US disclosed
EP-1264820-A1 NOVEL AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 EP 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-20040087798-A1 Novel amide compounds H1-2, H1-0, H1-3 ABL1 114/4885HCK 1884/4885NR2C2 100/4885

“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.