SCHEMBL1554577

SCHEMBL1554577

CN(C)/C=C(/C(=O)c1c(F)cccc1F)c1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTT P42858 2/20 0.43
JAK2 O60674 2/20 0.43
JAK1 P23458 2/20 0.43
TYK2 P29597 2/20 0.43
NOD2 Q9HC29 1/20 0.43
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 1/20 0.38
PFKFB3 Q16875 1/20 0.38
CDK2 P24941 1/20 0.37
MAPK7 Q13164 2/20 0.36
MAPK14 Q16539 2/20 0.36
CYP11B1 P15538 2/20 0.36
LTA4H P09960 1/20 0.36
CYP11B2 P19099 1/20 0.36
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL1554579 1.00 CES2 (0.44) CES2CES1TDP1HTTJAK2
SCHEMBL5353608 0.83 CES2 (0.50) CES2CES1HTTKMT2AGRM1
SCHEMBL5353609 0.83 CES2 (0.50) CES2CES1HTTKMT2AGRM1
SCHEMBL1150862 0.79 LTA4H (0.53) CES2CES1HTTKDM4EKMT2A
SCHEMBL2924909 0.79 LTA4H (0.53) CES2CES1HTTKDM4EKMT2A
SCHEMBL2924907 0.79 LTA4H (0.53) CES2CES1HTTKDM4EKMT2A
SCHEMBL14519363 0.79 KMT2A (0.50) CES2CES1HTTJAK2TYK2
SCHEMBL9961399 0.79 KMT2A (0.50) CES2CES1HTTJAK2TYK2
SCHEMBL5347239 0.79 CES2 (0.49) CES2CES1HTTKDM4EKMT2A
SCHEMBL5347236 0.79 CES2 (0.49) CES2CES1HTTKDM4EKMT2A

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-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
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
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 CES2 2485/4885CES1 2627/4885TDP1 2661/4885
US-20110183978-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN CES2 2485/4885CES1 2627/4885TDP1 2661/4885

“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.