SCHEMBL1555080

SCHEMBL1555080

CC(C)n1cc(-c2ccnc(N)c2)c(-c2ccc(F)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 6/20 0.49
CSNK1E P49674 4/20 0.49
MAPK14 Q16539 11/20 0.48
MAPK11 Q15759 8/20 0.48
MAPK13 O15264 6/20 0.48
MAPK12 P53778 6/20 0.48
KCNH2 Q12809 3/20 0.47
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4D Q08499 1/20 0.46
ADORA2A P29274 2/20 0.44
ADORA1 P30542 2/20 0.44
BRAF P15056 3/20 0.43
MAPK3 P27361 1/20 0.43
MAPK1 P28482 1/20 0.43
ADORA2B P29275 1/20 0.39
SRC P12931 2/20 0.39
KDR P35968 2/20 0.39
MAP4K4 O95819 1/20 0.39
EGFR P00533 1/20 0.39

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
SCHEMBL1555189 0.84 CSNK1D (0.67) CSNK1DCSNK1EMAPK14MAPK11MAPK13
SCHEMBL14335741 0.81 BRAF (0.40) KCNH2BRAFMAPK3MAPK1DYRK1A
SCHEMBL1555008 0.81 MAPK14 (0.51) CSNK1DCSNK1EMAPK14MAPK11MAPK13
SCHEMBL1647080 0.81 MAPK14 (0.68) CSNK1DCSNK1EMAPK14MAPK11MAPK13
SCHEMBL1555218 0.80 CSNK1D (0.47) CSNK1DCSNK1EMAPK14MAPK11MAPK13
SCHEMBL16105499 0.79 MAPK14 (0.47) CSNK1DCSNK1EMAPK14MAPK11MAPK13
SCHEMBL1645728 0.79 CSNK1D (0.47) CSNK1DCSNK1EMAPK14MAPK11MAPK13
SCHEMBL1554557 0.79 MAPK14 (0.60) CSNK1DCSNK1EMAPK14MAPK11MAPK13
SCHEMBL16105342 0.78 CSNK1D (0.43) CSNK1DCSNK1EMAPK14MAPK11MAPK13
SCHEMBL16105565 0.78 MAPK14 (0.58) CSNK1DMAPK14MAPK11MAPK13MAPK12

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 11 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-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-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
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
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 CSNK1D 2751/4885CSNK1E 3451/4885MAPK14 1078/4885
US-20110183978-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN CSNK1D 2751/4885CSNK1E 3451/4885MAPK14 1078/4885

“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.