SCHEMBL2533447

SCHEMBL2533447

FC(F)(F)c1ccc(-c2cc3n(n2)CCC3)cc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
RAD51 Q06609 1/20 0.36
SCN9A Q15858 1/20 0.35
THRB P10828 1/20 0.35
TGFBR1 P36897 1/20 0.35

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
SCHEMBL2522826 0.84 CNR2 (0.44)
SCHEMBL2520258 0.83 THRB (0.43) THRBTGFBR1
SCHEMBL2525007 0.80 THRB (0.43) THRBTGFBR1
SCHEMBL26645648 0.78 PDCD1 (0.49) RAD51SCN9A
SCHEMBL2524849 0.77 KDM4E (0.42)
SCHEMBL26645099 0.69 GRM5 (0.48)
SCHEMBL26645506 0.69 CDC7 (0.72) KIF11RAD51SCN9A
SCHEMBL14557164 0.68 ALDH1A1 (0.46) KIF11RAD51
SCHEMBL2522456 0.68 THRB (0.44) KIF11SIGMAR1THRBTGFBR1
SCHEMBL29050018 0.67 GRM5 (0.53)

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102947303-B Bicyclo-pyridyl pyrazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-12-14 CN disclosed
EP-2556073-B1 BICYCLIC PYRIDINYL PYRAZOLES BAYER IP GMBH (DE) 2014-07-23 EP disclosed
US-8507472-B2 Bicyclic pyridinylpyrazoles BAYER CROPSCIENCE AG (DE) 2013-08-13 US disclosed
CN-102947303-A Bicyclic pyrimidinyl pyrazoles BAYER CROPSCIENCE AG 2013-02-27 CN disclosed
EP-2556073-A1 BICYCLIC PYRIMIDINYL PYRAZOLES Bayer Intellectual Property GmbH (DE) 2013-02-13 EP disclosed
WO-2011124539-A1 BICYCLIC PYRIMIDINYL PYRAZOLES BAYER CROPSCIENCE AG (DE) 2011-10-13 WO disclosed
US-20110251178-A1 Bicyclic Pyridinylpyrazoles BAYER CROPSCIENCE AG (DE) 2011-10-13 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-20110251178-A1 Bicyclic Pyridinylpyrazoles PLPBP, PNPO, PIR KIF11 3949/4885SIGMAR1 4356/4885RAD51 4147/4885

“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.