SCHEMBL2522580

SCHEMBL2522580

Fc1ccc(-c2nn3c(c2-c2ccncc2)CCCC3)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.62
THRB P10828 4/20 0.60
TGFBR1 P36897 3/20 0.55
EGFR P00533 1/20 0.47
RAF1 P04049 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
GSK3B P49841 1/20 0.47
SRC P12931 3/20 0.46
BRAF P15056 3/20 0.46
KDR P35968 3/20 0.46
CSNK1A1 P48729 1/20 0.45
CSNK1D P48730 1/20 0.45
CSNK1E P49674 1/20 0.45

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
SCHEMBL25611754 0.86 THRB (0.54) MAPK14THRBTGFBR1ADORA2AADORA2B
SCHEMBL2524801 0.83 THRB (0.54) MAPK14THRBTGFBR1ADORA2AADORA2B
SCHEMBL25273863 0.82 MAPK14 (0.67) MAPK14THRBTGFBR1EGFRRAF1
SCHEMBL24554415 0.79 MAPK14 (0.53) MAPK14THRBEGFRRAF1ADORA3
SCHEMBL8835906 0.79 MAPK14 (0.62) MAPK14THRBEGFRRAF1ADORA3
SCHEMBL25253899 0.79 MAPK14 (0.53) MAPK14THRBEGFRRAF1ADORA3
SCHEMBL25225084 0.79 MAPK14 (0.59) MAPK14THRBEGFRRAF1ADORA3
SCHEMBL29994161 0.79 THRB (0.58) MAPK14THRBTGFBR1ADORA2AADORA2B
SCHEMBL14845042 0.79 THRB (0.58) MAPK14THRBTGFBR1ADORA2AADORA2B
Hydrochloric Acid SCHEMBL26645368 0.78 MAPK14 (0.52) MAPK14THRBEGFRRAF1ADORA3

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 MAPK14 851/4885THRB 3803/4885TGFBR1 2921/4885

“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.