SCHEMBL966734

SCHEMBL966734

Cn1nc(C2CC2)c(C=O)c1-n1ccc2cc(Cl)cnc21

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 7/20 0.35
HPGD P15428 2/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
PABPC1 P11940 1/20 0.32
KMT2A Q03164 1/20 0.32
FGFR1 P11362 1/20 0.31
FGFR4 P22455 1/20 0.31
MCHR1 Q99705 4/20 0.31
CREBBP Q92793 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
SCHEMBL962380 0.86 IRAK4 (0.32) IRAK4
SCHEMBL962375 0.86 IRAK4 (0.32) IRAK4
SCHEMBL963547 0.83 SMN1; SMN2 (0.41) IRAK4HPGDHTTHSD17B10MEN1
SCHEMBL965084 0.81 CDC7 (0.36)
SCHEMBL4554212 0.81 IRAK4 (0.34) IRAK4HPGDHTTHSD17B10MCHR1
SCHEMBL962809 0.80 ADAMTS5 (0.35) IRAK4HPGDHTTHSD17B10MEN1
SCHEMBL961700 0.79 IRAK4 (0.33) IRAK4MCHR1
SCHEMBL962237 0.77 HTT (0.33) HTT
SCHEMBL962378 0.77 IRAK4 (0.33) IRAK4
SCHEMBL5127447 0.75 IRAK4 (0.35) IRAK4

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 disclosed
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO 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 1821/4885HPGD 598/4885HTT 3376/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG IRAK4 873/4885HPGD 378/4885HTT 3799/4885

“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.