SCHEMBL961767

SCHEMBL961767

Cc1nn(C)c(-n2ccc3cc(Cl)cnc32)c1C=CC(=O)NS(=O)(=O)NCC1CC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 7/20 0.34
NPY5R Q15761 2/20 0.33
MAPT P10636 1/20 0.32
NR2F2 P24468 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FGFR1 P11362 1/20 0.31
FGFR4 P22455 1/20 0.31
CRHR1 P34998 7/20 0.31
CRHR2 Q13324 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
SCHEMBL961765 1.00 IRAK4 (0.34) IRAK4NPY5RMAPTNR2F2HTT
SCHEMBL965345 0.87 NPY5R (0.41) NPY5RMAPTNR2F2HTTSMN1; SMN2
SCHEMBL965347 0.87 NPY5R (0.41) NPY5RMAPTNR2F2HTTSMN1; SMN2
SCHEMBL28785079 0.87 IRAK4 (0.32) IRAK4
SCHEMBL28785061 0.87 IRAK4 (0.32) IRAK4
SCHEMBL966858 0.87 PPARG (0.33) IRAK4MAPTNR2F2HTTSMN1; SMN2
SCHEMBL963441 0.87 NR3C1 (0.37) IRAK4MAPTNR2F2HTTSMN1; SMN2
SCHEMBL966859 0.87 PPARG (0.33) IRAK4MAPTNR2F2HTTSMN1; SMN2
SCHEMBL963440 0.87 NR3C1 (0.37) IRAK4MAPTNR2F2HTTSMN1; SMN2
SCHEMBL962093 0.86 HDAC3 (0.36) NPY5RMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US claimed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 US claimed
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 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 (2 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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 IRAK4 1821/4885NPY5R 1067/4885MAPT 4343/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG IRAK4 873/4885NPY5R 764/4885MAPT 4720/4885

“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.