SCHEMBL1646495

SCHEMBL1646495

COc1cc(F)ccc1-c1c(-c2ccncc2)cnn1C1CCCCO1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.44
GRIN2B Q13224 2/20 0.44
CYP2D6 P10635 1/20 0.44
S1PR1 P21453 1/20 0.42
GRM5 P41594 1/20 0.41
GRIN1 Q05586 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
GPBAR1 Q8TDU6 2/20 0.39
KDM4C Q9H3R0 1/20 0.39
ATR Q13535 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
SCHEMBL1647206 0.88 S1PR1 (0.46) S1PR1CYP4F2CYP4A11ATR
SCHEMBL1645121 0.87 CYP4F2 (0.44) GRIN2BS1PR1GRIN1CYP4F2CYP4A11
SCHEMBL1555546 0.83 S1PR1 (0.47) S1PR1CYP4F2CYP4A11
SCHEMBL1646625 0.83 PDE4D (0.39) CYP4F2CYP4A11ATR
SCHEMBL2161873 0.79 CYP4F2 (0.42) S1PR1CYP4F2CYP4A11ATR
SCHEMBL1646904 0.77 ATR (0.45) CYP4F2CYP4A11ATR
SCHEMBL1645147 0.77 CYP4F2 (0.47) GRIN2BS1PR1GRIN1CYP4F2CYP4A11
SCHEMBL1645354 0.76 CYP4F2 (0.44) KCNH2S1PR1CYP4F2CYP4A11ATR
SCHEMBL1648134 0.75 CYP4F2 (0.41) S1PR1CYP4F2CYP4A11ATR
SCHEMBL1646240 0.74 CYP4F2 (0.42) S1PR1CYP4F2CYP4A11ATR

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 7 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-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
US-20130281455-A1 Phenylpyri(mi)dinylazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-24 US disclosed
US-20110183978-A1 Phenylpyri(mi)dinylazoles BAYER CROPSCIENCE AG (DE) 2011-07-28 US 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 KCNH2 901/4885GRIN2B 1892/4885CYP2D6 233/4885
US-20110183978-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN KCNH2 901/4885GRIN2B 1892/4885CYP2D6 233/4885

“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.