SCHEMBL3963382

SCHEMBL3963382

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

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.47
PARP1 P09874 13/20 0.45
PARP2 Q9UGN5 9/20 0.45
PARP3 Q9Y6F1 9/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2C9 P11712 1/20 0.41

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
SCHEMBL5708272 0.86 PARP1 (0.47) ADORA3PARP1PARP2PARP3
SCHEMBL27759167 0.86 PARP1 (0.59) ADORA3PARP1PARP2PARP3KDM4E
SCHEMBL3966971 0.83 PPARA (0.48) ADORA3PARP1PARP2PARP3CYP2C9
SCHEMBL3968503 0.82 NOTUM (0.43) ADORA3PARP1PARP2PARP3
SCHEMBL3968483 0.82 ADORA3 (0.43) ADORA3PARP1PARP2PARP3
SCHEMBL27738246 0.80 MEN1 (0.46) ADORA3PARP1PARP2PARP3KDM4E
SCHEMBL3969637 0.79 PPARA (0.49) ADORA3PARP1
SCHEMBL3963602 0.79 ADORA3 (0.40) ADORA3PARP1PARP2PARP3
SCHEMBL27892022 0.79 PARP1 (0.67) PARP1PARP2PARP3KDM4EALDH1A1
SCHEMBL27738227 0.78 PARP1 (0.62) PARP1PARP2PARP3KDM4EALDH1A1

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 2 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-20070106081-A1 Bicyclic derivatives as ppar modulators ELI LILLY AND COMPANY 2007-05-10 US 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.