SCHEMBL3963465

SCHEMBL3963465

COC(=O)c1ccc2cn(-c3ccc(C(F)(F)F)cc3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ADORA3 P0DMS8 2/20 0.43
MEN1 O00255 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
TLR2 O60603 1/20 0.41
TLR1 Q15399 1/20 0.41
NOTUM Q6P988 2/20 0.41
IDH1 O75874 1/20 0.41
FGFR1 P11362 1/20 0.41
GCG P01275 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.39
UBE2N P61088 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL25400994 0.81 SMN1; SMN2 (0.47) LMNAKDM4EALDH1A1HTTL3MBTL1
SCHEMBL17942230 0.78 IDH1 (0.45) LMNAKDM4EALDH1A1HTTL3MBTL1
SCHEMBL30516934 0.76 CYP19A1 (0.53) KDM4EALDH1A1HTTADORA3MEN1
SCHEMBL24321313 0.76 CYP19A1 (0.53) KDM4EALDH1A1HTTADORA3MEN1
SCHEMBL12707010 0.76 NPC1 (0.62) KDM4EALDH1A1L3MBTL1MEN1NPC1
SCHEMBL3666878 0.76 FGFR1 (0.52) LMNAKDM4EALDH1A1HTTADORA3
SCHEMBL19763361 0.75 TDP1 (0.49) LMNAKDM4EALDH1A1HTTL3MBTL1
SCHEMBL29893354 0.74 LMNA (0.47) LMNAKDM4EALDH1A1HTTL3MBTL1
SCHEMBL3963596 0.74 PARP1 (0.57) ADORA3
SCHEMBL4255275 0.74 KDM4E (0.50) LMNAKDM4EALDH1A1HTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544707-B2 Bicyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-06-09 US disclosed
US-7544707-B2 Bicyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-06-09 US disclosed
US-7544707-B2 Bicyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-06-09 US disclosed
US-20070106081-A1 Bicyclic derivatives as ppar modulators ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20070106081-A1 Bicyclic derivatives as ppar modulators ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20070106081-A1 Bicyclic derivatives as ppar modulators ELI LILLY AND COMPANY 2007-05-10 US disclosed
EP-1706386-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-10-04 EP disclosed
WO-2005066136-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-07-21 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 (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-20070106081-A1 Bicyclic derivatives as ppar modulators PPARD, PPARA, PPARG LMNA 1698/4885KDM4E 2996/4885ALDH1A1 849/4885

“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.