SCHEMBL962383

SCHEMBL962383

Cn1nc(C2CC2)c(C=O)c1-n1ccc2cc(F)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK2 Q9NYY3 2/20 0.36
PLK1 P53350 1/20 0.36
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTR6 P50406 2/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
KCNH2 Q12809 2/20 0.33
TFPI2 P48307 1/20 0.32
KDM1A O60341 1/20 0.32
CYP2A6 P11509 1/20 0.32
HTR2A P28223 2/20 0.31
HTR2C P28335 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 1/20 0.31
MCHR1 Q99705 1/20 0.31
HTR7 P34969 1/20 0.31
HPGDS O60760 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
SCHEMBL963821 0.86 PLA2G4A (0.39) PLK2PLK1ALDH1A1KDM4EHPGD
SCHEMBL963819 0.86 PLA2G4A (0.39) PLK2PLK1ALDH1A1KDM4EHPGD
SCHEMBL962714 0.82 ALDH1A1 (0.38) PLK2PLK1ALDH1A1KDM4EHPGD
SCHEMBL966152 0.82 KDM4E (0.35) PLK2PLK1ALDH1A1KDM4EHPGD
SCHEMBL966154 0.82 KDM4E (0.35) PLK2PLK1ALDH1A1KDM4EHPGD
SCHEMBL966150 0.81 CCNC (0.39) PLK2PLK1ALDH1A1KDM4EHPGD
SCHEMBL965623 0.77 MAPT (0.34) PLK2PLK1ALDH1A1KDM4EHPGD
SCHEMBL966865 0.76 NPY5R (0.41) PLK2PLK1HCRTR1HCRTR2HPGDS
SCHEMBL966866 0.76 NPY5R (0.41) PLK2PLK1HCRTR1HCRTR2HPGDS
SCHEMBL966566 0.75 PPARG (0.32) PLK2PLK1HCRTR1HCRTR2NPY5R

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 6 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
EP-2043658-A2 ANTIVIRAL PHOSPHINATE COMPOUNDS Gilead Sciences, Inc. (US) 2009-04-08 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
WO-2008005565-A2 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2008-01-10 WO 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 PLK2 4626/4885PLK1 3565/4885ALDH1A1 421/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG PLK2 2115/4885PLK1 2544/4885ALDH1A1 821/4885

“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.