SCHEMBL2524316

SCHEMBL2524316

Ic1c(-c2ccccc2)nn2c1CCCC2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.45
PTGS1 P23219 4/20 0.45
THRB P10828 5/20 0.39
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TGFBR1 P36897 6/20 0.37
ACHE P22303 1/20 0.37
TGFBR2 P37173 1/20 0.36
MAP3K20 Q9NYL2 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK14 Q16539 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
SCHEMBL2521875 0.95 THRB (0.43) PTGS2PTGS1THRBTGFBR1TGFBR2
SCHEMBL2522571 0.84 THRB (0.49) THRBTGFBR1KDM4EMAPK14
SCHEMBL2522902 0.83 THRB (0.48) THRBMEN1KMT2ATGFBR1KDM4E
SCHEMBL16708797 0.83 CSNK1D (0.42) THRBTGFBR1KDM4EALDH1A1
SCHEMBL2524961 0.79 PTGS2 (0.44) PTGS2PTGS1THRBTGFBR1L3MBTL1
SCHEMBL2522830 0.79 THRB (0.53) THRBKMT2ATGFBR1KDM4EMAPK14
SCHEMBL2526796 0.79 TGFBR1 (0.53) PTGS2PTGS1THRBTGFBR1TGFBR2
SCHEMBL2525099 0.79 CSNK1D (0.37) THRBMEN1KMT2ATGFBR1KDM4E
SCHEMBL27892148 0.79 TGFBR1 (0.39) THRBTGFBR1TGFBR2MAP3K20MAPK14
SCHEMBL2524978 0.78 THRB (0.44) THRBTGFBR1

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 PTGS2 2896/4885PTGS1 2507/4885THRB 3803/4885

“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.