SCHEMBL2522902

SCHEMBL2522902

Fc1ccc(-c2nn3c(c2I)CCCCC3)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.48
TGFBR1 P36897 4/20 0.46
MAPK14 Q16539 1/20 0.40
CSNK1E P49674 2/20 0.39
CSNK1D P48730 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL2522571 0.98 THRB (0.49) THRBTGFBR1MAPK14CSNK1ECSNK1D
SCHEMBL2522830 0.94 THRB (0.53) THRBTGFBR1MAPK14CSNK1ECSNK1D
SCHEMBL2524316 0.83 PTGS2 (0.45) THRBTGFBR1MAPK14MEN1KMT2A
SCHEMBL16708797 0.82 CSNK1D (0.42) THRBTGFBR1CSNK1ECSNK1DKDM4E
SCHEMBL17382369 0.81 THRB (0.49) THRBTGFBR1MAPK14CSNK1ECSNK1D
SCHEMBL17373680 0.81 THRB (0.49) THRBTGFBR1MAPK14CSNK1ECSNK1D
SCHEMBL2524961 0.79 PTGS2 (0.44) THRBTGFBR1MAPK14
SCHEMBL2526796 0.79 TGFBR1 (0.53) THRBTGFBR1MAPK14KDM4E
SCHEMBL2521875 0.78 THRB (0.43) THRBTGFBR1MAPK14KDM4E
SCHEMBL2522456 0.78 THRB (0.44) THRBTGFBR1MAPK14MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 2921/4885MAPK14 851/4885

“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.