SCHEMBL3968503

SCHEMBL3968503

OCCc1cccc2cn(-c3ccc(C(F)(F)F)cc3)nc12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
PARP1 P09874 14/20 0.41
PARP2 Q9UGN5 8/20 0.41
PARP3 Q9Y6F1 8/20 0.41
ADORA3 P0DMS8 3/20 0.41
SCN9A Q15858 1/20 0.40
SRC P12931 1/20 0.38
BRAF P15056 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL3968483 0.84 ADORA3 (0.43) NOTUMPARP1PARP2PARP3ADORA3
SCHEMBL3963382 0.82 ADORA3 (0.47) PARP1PARP2PARP3ADORA3
SCHEMBL3963602 0.81 ADORA3 (0.40) NOTUMPARP1PARP2PARP3ADORA3
SCHEMBL5708272 0.79 PARP1 (0.47) PARP1PARP2PARP3ADORA3
SCHEMBL3962929 0.77 PARP1 (0.45) NOTUMPARP1PARP2PARP3ADORA3
SCHEMBL3969438 0.76 PARP1 (0.48) NOTUMPARP1PARP2PARP3ADORA3
SCHEMBL3965838 0.75 PPARA (0.52) PARP1
SCHEMBL3965779 0.74 PARP1 (0.44) NOTUMPARP1PARP2PARP3ADORA3
SCHEMBL3963349 0.74 ADORA3 (0.45) PARP1PARP2PARP3ADORA3SRC
SCHEMBL5708205 0.73 PARP1 (0.35) NOTUMPARP1PARP2PARP3ADORA3

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 NOTUM 1189/4885PARP1 3140/4885PARP2 3359/4885

“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.