SCHEMBL8553431

SCHEMBL8553431

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2cc3nc(Br)cnc3[nH]2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.37
RET P07949 5/20 0.37
CDK7 P50613 5/20 0.37
CDK5 Q00535 5/20 0.37
PRKAA1 Q13131 5/20 0.37
AURKB Q96GD4 5/20 0.37
CLK4 Q9HAZ1 4/20 0.37
KDR P35968 3/20 0.37
NPY5R Q15761 1/20 0.36
FGFR1 P11362 4/20 0.34
FGFR2 P21802 1/20 0.34
AURKA O14965 4/20 0.32
FLT3 P36888 4/20 0.32
GSK3B P49841 4/20 0.32
LRRK2 Q5S007 3/20 0.32
JAK2 O60674 3/20 0.32
PAK4 O96013 3/20 0.32
NTRK1 P04629 3/20 0.32
LCK P06239 3/20 0.32
FYN P06241 3/20 0.32

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
SCHEMBL90921 0.81 SMO (0.37) NPY5RIKBKBCHUK
SCHEMBL90922 0.79 ALOX5AP (0.40) NPY5R
SCHEMBL90861 0.77 NPY5R (0.49) NPY5RIKBKBCHUK
SCHEMBL16300948 0.76 NPY5R (0.37) NPY5RIKBKBCHUK
SCHEMBL15021896 0.75 ABL1 (0.43) ABL1RETCDK7CDK5PRKAA1
SCHEMBL90852 0.74 BRD4 (0.35) NPY5RJAK2JAK3IKBKBCHUK
SCHEMBL90914 0.73 NPY5R (0.34) CDK7CDK5CLK4NPY5RFLT3
SCHEMBL90920 0.73 NPY5R (0.36) NPY5RCDK9IKBKBCHUK
SCHEMBL90918 0.73 NPY5R (0.36) CDK7CDK5CLK4NPY5RFLT3
SCHEMBL91022 0.72 SMO (0.37) ABL1NPY5RIKBKBCHUK

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-8299066-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed
US-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-24 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-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R ABL1 619/4885RET 637/4885CDK7 1782/4885

“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.