SCHEMBL1554947

SCHEMBL1554947

CC(C)n1cc(-c2ccncc2)c(-c2c(F)cccc2F)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.43
CSNK1D P48730 3/20 0.43
CSNK1E P49674 3/20 0.43
MAPK13 O15264 2/20 0.43
MAPK12 P53778 2/20 0.43
MAPK11 Q15759 2/20 0.43
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
NFATC1 O95644 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
BRAF P15056 5/20 0.37
SRC P12931 2/20 0.37
KDR P35968 2/20 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
SCHEMBL1647136 0.87 MAPK14 (0.40) MAPK14CSNK1DCSNK1EMAPK13MAPK12
SCHEMBL1646701 0.81 S1PR1 (0.41) MAPK14CSNK1DCSNK1EMAPK13MAPK12
SCHEMBL1647080 0.79 MAPK14 (0.68) MAPK14CSNK1DCSNK1EMAPK13MAPK12
SCHEMBL1646563 0.76 MAPK13 (0.40) MAPK14CSNK1DCSNK1EMAPK13MAPK12
SCHEMBL2049961 0.75 MAPK13 (0.42) MAPK14CSNK1DCSNK1EMAPK13MAPK12
SCHEMBL1647868 0.74 PDE10A (0.49) MAPK14CSNK1DCSNK1EMAPK13MAPK12
SCHEMBL1645694 0.73 BRAF (0.45) MAPK14CSNK1DCSNK1EMAPK13MAPK12
SCHEMBL1646250 0.73 BRAF (0.47) MAPK14CSNK1DCSNK1EMAPK13MAPK12
SCHEMBL1648437 0.73 MAPK13 (0.38) MAPK14CSNK1DCSNK1EMAPK13MAPK12
SCHEMBL15623756 0.72 BRAF (0.42) MAPK14CSNK1DCSNK1EMAPK13MAPK12

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

“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.