SCHEMBL1554772

SCHEMBL1554772

Fc1ccc(-c2nn(CC3CC3(Cl)Cl)cc2Br)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.35
ABL1 P00519 1/20 0.33
MAPK13 O15264 3/20 0.33
MAPK12 P53778 3/20 0.33
MAPK11 Q15759 3/20 0.33
MAPK14 Q16539 3/20 0.33
CSNK1D P48730 2/20 0.33
CSNK1E P49674 2/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 1/20 0.32
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
KDM4E B2RXH2 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
AHR P35869 1/20 0.30
KCNH2 Q12809 1/20 0.30
GRM2 Q14416 1/20 0.30

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
SCHEMBL1555212 0.81 MAPK14 (0.44) KMT2AMAPK13MAPK12MAPK11MAPK14
SCHEMBL1648428 0.80 MAPK14 (0.55) ABL1MAPK13MAPK12MAPK11MAPK14
SCHEMBL1555234 0.77 POLB (0.36) KMT2AMAPK13MAPK12MAPK11MAPK14
SCHEMBL1554909 0.77 NPC1 (0.44) KMT2AMAPK13MAPK12MAPK11MAPK14
SCHEMBL1555467 0.72 RECQL (0.43) KMT2AMAPK13MAPK12MAPK11MAPK14
SCHEMBL1554556 0.71 CSNK1D (0.44) KMT2AMAPK13MAPK12MAPK11MAPK14
SCHEMBL1554059 0.71 MAPK14 (0.41) KMT2AMAPK13MAPK12MAPK11MAPK14
SCHEMBL1554348 0.71 S1PR1 (0.43) KMT2AMAPK13MAPK12MAPK11MAPK14
SCHEMBL16105633 0.69 MAPK14 (0.54) MAPK14CDK2
SCHEMBL1554588 0.69 CSNK1D (0.57) KMT2AMAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-2784071-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
US-20130281455-A1 Phenylpyri(mi)dinylazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-24 US disclosed
CN-102834387-A Phenylpyri(mi)dinylpyrazoles and their use as fungicides BAYER CROPSCIENCE AG 2012-12-19 CN 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 KMT2A 1070/4885ABL1 1272/4885MAPK13 698/4885
US-20110183978-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN KMT2A 1070/4885ABL1 1272/4885MAPK13 698/4885

“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.