SCHEMBL1554052

SCHEMBL1554052

N#Cc1cccc(Cn2cc(-c3ccncc3)c(-c3ccc(F)cc3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.51
MAPK14 Q16539 6/20 0.47
CSNK1D P48730 2/20 0.47
MAPK13 O15264 1/20 0.47
CSNK1E P49674 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
CSNK1A1 P48729 1/20 0.45
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
ITK Q08881 1/20 0.43
BRAF P15056 3/20 0.43
KDR P35968 3/20 0.43
SRC P12931 2/20 0.43
CYP19A1 P11511 2/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
ACVR1 Q04771 1/20 0.43
GCGR P47871 1/20 0.42
LRRK2 Q5S007 1/20 0.41

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
SCHEMBL1645212 0.87 MAPK14 (0.54) MAPK14CSNK1DMAPK13CSNK1EMAPK12
SCHEMBL1646093 0.87 CSNK1D (0.53) MAPK14CSNK1DMAPK13CSNK1EMAPK12
SCHEMBL1646161 0.84 MAPK14 (0.50) MAPK14CSNK1DMAPK13CSNK1EMAPK12
SCHEMBL1645760 0.83 MAPK14 (0.60) MAPK14CSNK1DMAPK13CSNK1EMAPK12
SCHEMBL1555205 0.82 MAPK14 (0.48) TGFBR1MAPK14CYP19A1CYP11B1CYP11B2
SCHEMBL1647484 0.81 MAPK14 (0.65) MAPK14CSNK1DMAPK13CSNK1EMAPK12
SCHEMBL1644870 0.81 MAPK14 (0.65) MAPK14CSNK1DMAPK13CSNK1EMAPK12
SCHEMBL1646207 0.80 MAPK14 (0.46) MAPK14CSNK1DMAPK13CSNK1EMAPK12
SCHEMBL1646564 0.80 MAPK13 (0.53) MAPK14CSNK1DMAPK13CSNK1EMAPK12
SCHEMBL16105615 0.80 TGFBR1 (0.47) TGFBR1MAPK14ACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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
EP-2308866-A1 Phenylpyri(mi)dinylpyrazoles and their use as fungicides Bayer CropScience AG (DE) 2011-04-13 EP 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 TGFBR1 3374/4885MAPK14 1078/4885CSNK1D 2751/4885
US-20110183978-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN TGFBR1 3374/4885MAPK14 1078/4885CSNK1D 2751/4885

“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.