SCHEMBL3963349

SCHEMBL3963349

O=Cc1cccc2cn(-c3ccc(C(F)(F)F)cc3)nc12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.45
PARP1 P09874 11/20 0.43
PARP2 Q9UGN5 7/20 0.43
PARP3 Q9Y6F1 7/20 0.43
PTGS2 P35354 2/20 0.38
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.36
SRC P12931 1/20 0.36
BRAF P15056 1/20 0.36
KDR P35968 1/20 0.36
AADAT Q8N5Z0 1/20 0.36

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
SCHEMBL3962929 0.79 PARP1 (0.45) ADORA3PARP1PARP2PARP3SRC
SCHEMBL13791692 0.78 ADORA3 (0.47) ADORA3PTGS2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3968483 0.76 ADORA3 (0.43) ADORA3PARP1PARP2PARP3SRC
SCHEMBL3969438 0.76 PARP1 (0.48) ADORA3PARP1PARP2PARP3SRC
SCHEMBL3963382 0.74 ADORA3 (0.47) ADORA3PARP1PARP2PARP3ALDH1A1
SCHEMBL718415 0.74 PTGS2 (0.42) ADORA3PTGS2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3968503 0.74 NOTUM (0.43) ADORA3PARP1PARP2PARP3SRC
SCHEMBL3965779 0.74 PARP1 (0.44) ADORA3PARP1PARP2PARP3
SCHEMBL3963596 0.74 PARP1 (0.57) ADORA3PARP1PARP2PARP3
SCHEMBL5708210 0.74 PARP1 (0.47) ADORA3PARP1PARP2PARP3ALDH1A1

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.