SCHEMBL1647206

SCHEMBL1647206

Fc1ccc(-c2c(-c3ccncc3)cnn2C2CCCCO2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.46
ATR Q13535 12/20 0.46
CYP4F2 P78329 2/20 0.45
CYP4A11 Q02928 2/20 0.45
CALML3 P27482 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36

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
SCHEMBL1645121 0.91 CYP4F2 (0.44) S1PR1ATRCYP4F2CYP4A11RXRA
SCHEMBL1646495 0.88 KCNH2 (0.44) S1PR1ATRCYP4F2CYP4A11
SCHEMBL1555546 0.87 S1PR1 (0.47) S1PR1CYP4F2CYP4A11
SCHEMBL2161873 0.86 CYP4F2 (0.42) S1PR1ATRCYP4F2CYP4A11
SCHEMBL1645147 0.82 CYP4F2 (0.47) S1PR1ATRCYP4F2CYP4A11RXRA
SCHEMBL1645354 0.81 CYP4F2 (0.44) S1PR1ATRCYP4F2CYP4A11RXRA
SCHEMBL1646240 0.80 CYP4F2 (0.42) S1PR1ATRCYP4F2CYP4A11RXRA
SCHEMBL1646625 0.78 PDE4D (0.39) ATRCYP4F2CYP4A11
SCHEMBL1648134 0.78 CYP4F2 (0.41) S1PR1ATRCYP4F2CYP4A11RXRA
SCHEMBL14336144 0.77 CYP4F2 (0.43) S1PR1ATRCYP4F2CYP4A11RXRA

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-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-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-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
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 S1PR1 4802/4885ATR 1155/4885CYP4F2 527/4885
US-20110183978-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN S1PR1 4802/4885ATR 1155/4885CYP4F2 527/4885

“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.