SCHEMBL2525132

SCHEMBL2525132

Fc1ccc(-c2nn3c(c2I)CCOC3)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.37
CHRM5 P08912 1/20 0.37
CHRNA3 P32297 1/20 0.37
KCNH2 Q12809 1/20 0.37
UGCG Q16739 1/20 0.37
MAPK14 Q16539 4/20 0.37
CSNK1D P48730 3/20 0.35
CSNK1E P49674 2/20 0.34
THRB P10828 2/20 0.34
TGFBR1 P36897 1/20 0.33
ALOX5 P09917 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR7 P34969 1/20 0.32
HTR2B P41595 1/20 0.32
HTR5A P47898 1/20 0.32
KCNK3 O14649 1/20 0.32

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
SCHEMBL2522830 0.78 THRB (0.53) MAPK14CSNK1DCSNK1ETHRBTGFBR1
SCHEMBL2522571 0.77 THRB (0.49) MAPK14CSNK1DCSNK1ETHRBTGFBR1
SCHEMBL2522902 0.75 THRB (0.48) MAPK14CSNK1DCSNK1ETHRBTGFBR1
SCHEMBL2527330 0.71 HTR3A (0.36) HTR3AUGCGMAPK14
SCHEMBL3107458 0.70 MAPK14 (0.47) MAPK14CSNK1DCSNK1ETHRBTGFBR1
SCHEMBL29514348 0.68 MAPK14 (0.32) KCNH2MAPK14CSNK1DTHRBTGFBR1
SCHEMBL2526114 0.67 KCNK3 (0.37) KCNH2MAPK14CSNK1DALDH1A1HTR2A
SCHEMBL29514280 0.66 CSNK1D (0.46) HTR3AUGCGMAPK14CSNK1DCSNK1E
SCHEMBL2524509 0.66 HRH2 (0.36) MAPK14CSNK1DCSNK1ETHRBTGFBR1
SCHEMBL2524313 0.63 CSNK1D (0.48) HTR3ACHRM5CHRNA3KCNH2UGCG

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 HTR3A 2322/4885CHRM5 2147/4885CHRNA3 3400/4885

“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.