SCHEMBL2518552

SCHEMBL2518552

Ic1c(-c2ccsc2)nn2c1CCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.38
CSNK1E P49674 1/20 0.38
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
THRB P10828 10/20 0.34
TGFBR1 P36897 9/20 0.34
HTR6 P50406 2/20 0.34
DRD2 P14416 1/20 0.34
MAPK14 Q16539 2/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
TGFBR2 P37173 1/20 0.32
MAP3K20 Q9NYL2 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
SCHEMBL2525099 0.96 CSNK1D (0.37) CSNK1DCSNK1ECHRM2CHRM4CHRM5
SCHEMBL2526796 0.76 TGFBR1 (0.53) THRBTGFBR1MAPK14KDM4ETGFBR2
SCHEMBL2524961 0.76 PTGS2 (0.44) THRBTGFBR1MAPK14AR
SCHEMBL2522830 0.76 THRB (0.53) CSNK1DCSNK1ETHRBTGFBR1MAPK14
SCHEMBL2524316 0.74 PTGS2 (0.45) THRBTGFBR1MAPK14KDM4EALDH1A1
SCHEMBL2522456 0.72 THRB (0.44) THRBTGFBR1MAPK14KDM4EALDH1A1
SCHEMBL2526992 0.72 THRB (0.56) THRBTGFBR1MAPK14KDM4EALDH1A1
SCHEMBL2524978 0.71 THRB (0.44) CSNK1DCSNK1ETHRBTGFBR1
SCHEMBL2522902 0.71 THRB (0.48) CSNK1DCSNK1ETHRBTGFBR1MAPK14
SCHEMBL14844868 0.70

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 CSNK1D 3430/4885CSNK1E 3979/4885CHRM2 2000/4885

“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.