SCHEMBL2524978

SCHEMBL2524978

Fc1cccc(-c2nn3c(c2I)CCC3)c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.44
TGFBR1 P36897 4/20 0.44
CSNK1E P49674 13/20 0.43
CSNK1D P48730 12/20 0.43
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39

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
SCHEMBL16708797 0.96 CSNK1D (0.42) THRBTGFBR1CSNK1ECSNK1DCHRNB4
SCHEMBL2527781 0.83 THRB (0.43) THRBTGFBR1CSNK1ECSNK1D
SCHEMBL2522830 0.82 THRB (0.53) THRBTGFBR1CSNK1ECSNK1D
SCHEMBL2521875 0.82 THRB (0.43) THRBTGFBR1
SCHEMBL2522571 0.78 THRB (0.49) THRBTGFBR1CSNK1ECSNK1D
SCHEMBL2524316 0.78 PTGS2 (0.45) THRBTGFBR1
SCHEMBL2522902 0.77 THRB (0.48) THRBTGFBR1CSNK1ECSNK1D
SCHEMBL16709096 0.76 CHRNB4 (0.36) CSNK1ECSNK1DCHRNB4CHRNA3
SCHEMBL16699295 0.76 CSNK1E (0.56) CSNK1ECSNK1D
SCHEMBL16708796 0.75 CSNK1E (0.62) CSNK1ECSNK1D

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 THRB 3803/4885TGFBR1 2921/4885CSNK1E 3979/4885

“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.