SCHEMBL3963602

SCHEMBL3963602

N#CCc1cccc2cn(-c3ccc(C(F)(F)F)cc3)nc12

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.40
PARP1 P09874 15/20 0.40
PARP2 Q9UGN5 8/20 0.38
PARP3 Q9Y6F1 8/20 0.38
NOTUM Q6P988 1/20 0.36
SRC P12931 1/20 0.34
BRAF P15056 1/20 0.34
KDR P35968 1/20 0.34

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 0.83 ADORA3 (0.43) ADORA3PARP1PARP2PARP3NOTUM
SCHEMBL3968503 0.81 NOTUM (0.43) ADORA3PARP1PARP2PARP3NOTUM
SCHEMBL3963382 0.79 ADORA3 (0.47) ADORA3PARP1PARP2PARP3
SCHEMBL3962929 0.76 PARP1 (0.45) ADORA3PARP1PARP2PARP3NOTUM
SCHEMBL5708272 0.75 PARP1 (0.47) ADORA3PARP1PARP2PARP3
SCHEMBL3969438 0.73 PARP1 (0.48) ADORA3PARP1PARP2PARP3NOTUM
SCHEMBL5708205 0.72 PARP1 (0.35) ADORA3PARP1PARP2PARP3NOTUM
SCHEMBL3965779 0.71 PARP1 (0.44) ADORA3PARP1PARP2PARP3NOTUM
SCHEMBL5708193 0.71 PARP1 (0.34) ADORA3PARP1PARP2PARP3NOTUM
SCHEMBL13647512 0.70 TNF (0.37) PARP1PARP2

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 ADORA3 124/4885PARP1 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.