SCHEMBL1554541

SCHEMBL1554541

Fc1ccc(-c2n[nH]c(C3CC3)c2-c2ccncc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 18/20 0.85
MAPK14 Q16539 18/20 0.85
KCNH2 Q12809 1/20 0.71
CSNK1A1 P48729 1/20 0.50
CSNK1D P48730 1/20 0.50
RPS6KA3 P51812 1/20 0.50

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
SCHEMBL5254373 0.94 MAPK11 (0.76) MAPK11MAPK14KCNH2
SCHEMBL5254376 0.94 MAPK11 (0.76) MAPK11MAPK14KCNH2
SCHEMBL5260748 0.92 MAPK11 (1.00) MAPK11MAPK14KCNH2
SCHEMBL5260443 0.90 MAPK11 (0.71) MAPK11MAPK14KCNH2
SCHEMBL14519703 0.89 MAPK14 (0.69) MAPK11MAPK14KCNH2CSNK1A1CSNK1D
SCHEMBL6774821 0.89 MAPK11 (1.00) MAPK11MAPK14KCNH2
SCHEMBL5260363 0.88 MAPK11 (0.68) MAPK11MAPK14KCNH2
SCHEMBL14521844 0.87 MAPK11 (0.87) MAPK11MAPK14KCNH2
SCHEMBL14521831 0.87 MAPK14 (0.70) MAPK11MAPK14KCNH2
SCHEMBL14521836 0.85 MAPK11 (1.00) MAPK11MAPK14KCNH2

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-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
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 MAPK11 1608/4885MAPK14 1078/4885KCNH2 901/4885
US-20110183978-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN MAPK11 1608/4885MAPK14 1078/4885KCNH2 901/4885

“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.