SCHEMBL2521875

SCHEMBL2521875

Ic1c(-c2ccccc2)nn2c1CCC2

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.43
PTGS2 P35354 3/20 0.43
PTGS1 P23219 2/20 0.43
TGFBR1 P36897 11/20 0.40
TGFBR2 P37173 3/20 0.39
MAP3K20 Q9NYL2 1/20 0.39
MAPK14 Q16539 3/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL2524316 0.95 PTGS2 (0.45) THRBPTGS2PTGS1TGFBR1TGFBR2
SCHEMBL2524961 0.84 PTGS2 (0.44) THRBPTGS2PTGS1TGFBR1MAPK14
SCHEMBL2526796 0.84 TGFBR1 (0.53) THRBPTGS2PTGS1TGFBR1TGFBR2
SCHEMBL2522830 0.84 THRB (0.53) THRBTGFBR1MAPK14KDM4E
SCHEMBL2524978 0.82 THRB (0.44) THRBTGFBR1
SCHEMBL2526992 0.80 THRB (0.56) THRBPTGS2PTGS1TGFBR1MAPK14
SCHEMBL2522456 0.80 THRB (0.44) THRBTGFBR1MAPK14KDM4EALDH1A1
SCHEMBL2526666 0.80 THRB (0.43) THRBPTGS2PTGS1TGFBR1TGFBR2
SCHEMBL2522571 0.80 THRB (0.49) THRBTGFBR1MAPK14KDM4E
SCHEMBL2518552 0.78 CSNK1D (0.38) THRBTGFBR1TGFBR2MAP3K20MAPK14

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 3803/4885PTGS2 2896/4885PTGS1 2507/4885

“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.