SCHEMBL1647451

SCHEMBL1647451

c1ccc(Oc2ccc(-c3c(-c4ccncc4)cnn3C3CCCCO3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.40
CYP4F2 P78329 3/20 0.38
CYP4A11 Q02928 3/20 0.38
ATR Q13535 2/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDE10A Q9Y233 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL1646890 0.91 ATR (0.40) DRD1CYP4F2CYP4A11ATRRXRA
SCHEMBL1647633 0.84 GABBR2 (0.41) CYP4F2CYP4A11S1PR1
SCHEMBL1555546 0.84 S1PR1 (0.47) CYP4F2CYP4A11NPC1RAB9AS1PR1
SCHEMBL1648134 0.84 CYP4F2 (0.41) CYP4F2CYP4A11ATRRXRARXRB
SCHEMBL1646837 0.82 KIF11 (0.41) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL1646330 0.81 ATR (0.49) CYP4F2CYP4A11ATR
SCHEMBL2162773 0.80 ATR (0.44) ATR
SCHEMBL20817926 0.80 DRD1 (0.39) DRD1CYP4F2CYP4A11ATRRXRA
SCHEMBL2161461 0.80 CA2 (0.41) CYP4F2CYP4A11ATRS1PR1
SCHEMBL15332967 0.79 CYP4F2 (0.42) CYP4F2CYP4A11RXRARXRBRXRG

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-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
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 DRD1 1026/4885CYP4F2 527/4885CYP4A11 388/4885
US-20110183978-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN DRD1 1026/4885CYP4F2 527/4885CYP4A11 388/4885

“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.