SCHEMBL3962929

SCHEMBL3962929

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.45
PARP2 Q9UGN5 8/20 0.45
PARP3 Q9Y6F1 7/20 0.45
ADORA3 P0DMS8 3/20 0.45
TNKS O95271 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
GCG P01275 1/20 0.39
SRC P12931 1/20 0.39
BRAF P15056 1/20 0.39
KDR P35968 1/20 0.39
NOTUM Q6P988 1/20 0.38
CASR P41180 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL3969438 0.82 PARP1 (0.48) PARP1PARP2PARP3ADORA3SRC
SCHEMBL3965779 0.80 PARP1 (0.44) PARP1PARP2PARP3ADORA3NOTUM
SCHEMBL3968483 0.79 ADORA3 (0.43) PARP1PARP2PARP3ADORA3SRC
SCHEMBL3961080 0.78 ADORA3 (0.48) PARP2ADORA3TNKSTNKS2GCG
SCHEMBL3968503 0.77 NOTUM (0.43) PARP1PARP2PARP3ADORA3SRC
SCHEMBL5708210 0.77 PARP1 (0.47) PARP1PARP2PARP3ADORA3
SCHEMBL3963596 0.77 PARP1 (0.57) PARP1PARP2PARP3ADORA3
SCHEMBL3963602 0.76 ADORA3 (0.40) PARP1PARP2PARP3ADORA3SRC
SCHEMBL17199299 0.75 ADORA3 (0.48) ADORA3SRCBRAFKDRNOTUM
SCHEMBL27730703 0.75 PARP1 (0.54) PARP1PARP2PARP3ADORA3

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 PARP1 3140/4885PARP2 3359/4885PARP3 2907/4885

“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.