SCHEMBL1554445

SCHEMBL1554445

Fc1ccc(-c2[nH]ncc2Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.54
MAPK13 O15264 1/20 0.54
MAPK12 P53778 1/20 0.54
MAPK11 Q15759 1/20 0.54
HTR1A P08908 2/20 0.49
HTR7 P34969 2/20 0.49
HTR2B P41595 2/20 0.49
HTR6 P50406 2/20 0.49
TGFBR1 P36897 3/20 0.45
PIK3CA P42336 1/20 0.45
MAPT P10636 3/20 0.44
HTR1D P28221 1/20 0.44
HTR3A P46098 1/20 0.44
RPS6KA3 P51812 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL16231397 0.76 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11HTR1A
SCHEMBL31042094 0.72 CYP11B2 (0.54)
SCHEMBL20148798 0.72 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11HTR1A
SCHEMBL16225617 0.72 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11HTR1A
SCHEMBL4834069 0.72 LMNA (0.55) MAPK14MAPK13MAPK12MAPK11HTR1A
SCHEMBL16230706 0.72 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11HTR1A
SCHEMBL3549781 0.71 DCAF1 (0.52) MAPK14MAPK13MAPK12MAPK11HTR1A
SCHEMBL5252677 0.71 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL8850984 0.68 MAPT (0.49) MAPK14MAPK13MAPK12MAPK11HTR1A
SCHEMBL3488188 0.65 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11MAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2784072-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 EP disclosed
EP-2784073-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 EP disclosed
EP-2784070-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 EP disclosed
EP-2784071-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 EP disclosed
US-20130281455-A1 Phenylpyri(mi)dinylazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-24 US disclosed
EP-2486031-A2 Phenylpyri(mi)dinylpyrazoles and their use as fungicides Bayer CropScience AG (DE) 2012-08-15 EP disclosed
US-20110183978-A1 Phenylpyri(mi)dinylazoles BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
WO-2011042389-A2 PHENYLPYRI(MI)DINYLAZOLES BAYER CROPSCIENCE AG (DE) 2011-04-14 WO 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 (2 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-20130281455-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN MAPK14 1078/4885MAPK13 698/4885MAPK12 2123/4885
US-20110183978-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN MAPK14 1078/4885MAPK13 698/4885MAPK12 2123/4885

“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.