SCHEMBL2523005

SCHEMBL2523005

Fc1ccccc1-c1nn2c(c1Br)CCC2

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 10/20 0.42
TGFBR1 P36897 12/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPK14 Q16539 3/20 0.39
MAPT P10636 1/20 0.38
CSNK1D P48730 1/20 0.38
CSNK1E P49674 1/20 0.38
HIF1A Q16665 1/20 0.35
HTR7 P34969 2/20 0.34

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
SCHEMBL19991802 0.83 THRB (0.41) THRBTGFBR1KDM4EMAPK14CSNK1D
SCHEMBL29049906 0.79 TGFBR1 (0.55) THRBTGFBR1MAPK14CSNK1D
SCHEMBL2526666 0.78 THRB (0.43) THRBTGFBR1KDM4EMAPK14
SCHEMBL2522496 0.78 CSNK1D (0.47) THRBTGFBR1KDM4EMAPK14MAPT
SCHEMBL14844873 0.76 THRB (0.53) THRBTGFBR1KDM4EMAPK14CSNK1D
SCHEMBL14844957 0.75 TGFBR1 (0.54) THRBTGFBR1MAPK14CSNK1E
SCHEMBL2561853 0.75 CSNK1D (0.40) THRBTGFBR1KDM4EMAPK14MAPT
SCHEMBL3944132 0.73 THRB (0.61) THRBTGFBR1MAPK14
SCHEMBL18114976 0.72 TGFBR1 (0.36) THRBTGFBR1KDM4EMAPK14MAPT
SCHEMBL412002 0.72 TGFBR1 (0.71) THRBTGFBR1MAPK14

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 6 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
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 2921/4885KDM4E 2248/4885

“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.