SCHEMBL1646904

SCHEMBL1646904

c1ccc(COc2ccccc2-c2c(-c3ccncc3)cnn2C2CCCCO2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATR Q13535 4/20 0.45
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
CYP19A1 P11511 1/20 0.41
CYP4F2 P78329 5/20 0.41
CYP4A11 Q02928 5/20 0.41
RXRA P19793 2/20 0.37
RXRB P28702 2/20 0.37
RXRG P48443 2/20 0.37
HTT P42858 1/20 0.37
IDO1 P14902 1/20 0.36
IKBKB O14920 1/20 0.36
PTGER1 P34995 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 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
SCHEMBL1646625 0.78 PDE4D (0.39) ATRCYP4F2CYP4A11ITGB1ITGA4
SCHEMBL1647451 0.77 DRD1 (0.40) ATRCYP4F2CYP4A11RXRARXRB
SCHEMBL1646495 0.77 KCNH2 (0.44) ATRCYP4F2CYP4A11
SCHEMBL1646951 0.77 ATR (0.40) ATRCYP4F2CYP4A11
SCHEMBL1645046 0.76 CYP4F2 (0.39) ATRCYP4F2CYP4A11RXRARXRB
SCHEMBL1555546 0.75 S1PR1 (0.47) CYP4F2CYP4A11ALDH1A1
SCHEMBL2161873 0.75 CYP4F2 (0.42) ATRCYP4F2CYP4A11
SCHEMBL1646890 0.75 ATR (0.40) ATRCYP4F2CYP4A11RXRARXRB
SCHEMBL1141392 0.75 ATR (0.47) ATRCYP4F2CYP4A11RXRARXRB
SCHEMBL1647206 0.74 S1PR1 (0.46) ATRCYP4F2CYP4A11RXRARXRB

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-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
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
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 ATR 1155/4885CYP11B1 620/4885CYP11B2 688/4885
US-20110183978-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN ATR 1155/4885CYP11B1 620/4885CYP11B2 688/4885

“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.