SCHEMBL962809

SCHEMBL962809

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 1/20 0.35
CYP1A2 P05177 4/20 0.34
CYP2C19 P33261 3/20 0.34
CYP2D6 P10635 2/20 0.34
IRAK4 Q9NWZ3 7/20 0.34
HTT P42858 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
PABPC1 P11940 1/20 0.33
KMT2A Q03164 1/20 0.33
FGFR1 P11362 1/20 0.32
FGFR4 P22455 1/20 0.32
CYP2C9 P11712 2/20 0.31
DYRK3 O43781 1/20 0.31
PIM1 P11309 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 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
SCHEMBL965261 0.87 ADAMTS5 (0.33) ADAMTS5CYP1A2CYP2C19CYP2D6IRAK4
SCHEMBL965265 0.87 ADAMTS5 (0.33) ADAMTS5CYP1A2CYP2C19CYP2D6IRAK4
SCHEMBL963547 0.84 SMN1; SMN2 (0.41) CYP1A2CYP2C19IRAK4HTTHPGD
SCHEMBL964593 0.81 KDM4E (0.37) CYP1A2CYP2C19CYP2D6HTTLMNA
SCHEMBL4554378 0.80 IRAK4 (0.34) IRAK4HTTHPGDHSD17B10MEN1
SCHEMBL966734 0.80 IRAK4 (0.35) IRAK4HTTHPGDHSD17B10MEN1
SCHEMBL963384 0.79 IRAK4 (0.33) CYP2C19CYP2D6IRAK4LMNACYP2C9
SCHEMBL961987 0.77 POLB (0.34) CYP1A2CYP2C19HTTMEN1LMNA
SCHEMBL965263 0.77 IRAK4 (0.33) IRAK4
SCHEMBL4555113 0.76 MEN1 (0.35) CYP1A2CYP2C19IRAK4HTTHPGD

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 ADAMTS5 832/4885CYP1A2 537/4885CYP2C19 660/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG ADAMTS5 3376/4885CYP1A2 665/4885CYP2C19 1025/4885

“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.