SCHEMBL1646240

SCHEMBL1646240

N#Cc1cc(-c2c(-c3ccncc3)cnn2C2CCCCO2)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
S1PR1 P21453 3/20 0.42
ATR Q13535 6/20 0.39
USP30 Q70CQ3 1/20 0.37
LRRK2 Q5S007 1/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
BUB1 O43683 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
TBK1 Q9UHD2 1/20 0.35
BLM P54132 1/20 0.35
WRN Q14191 1/20 0.35
EGLN2 Q96KS0 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
SCHEMBL1645147 0.87 CYP4F2 (0.47) CYP4F2CYP4A11S1PR1ATRRXRA
SCHEMBL1645354 0.86 CYP4F2 (0.44) CYP4F2CYP4A11S1PR1ATRRXRA
SCHEMBL1555546 0.83 S1PR1 (0.47) CYP4F2CYP4A11S1PR1
SCHEMBL1646518 0.83 DRD4 (0.41) CYP4F2CYP4A11S1PR1ATRUSP30
SCHEMBL1648134 0.81 CYP4F2 (0.41) CYP4F2CYP4A11S1PR1ATRRXRA
SCHEMBL1647206 0.80 S1PR1 (0.46) CYP4F2CYP4A11S1PR1ATRRXRA
SCHEMBL2161873 0.79 CYP4F2 (0.42) CYP4F2CYP4A11S1PR1ATR
SCHEMBL1646837 0.77 KIF11 (0.41) CYP4F2CYP4A11S1PR1RXRARXRB
SCHEMBL1645121 0.77 CYP4F2 (0.44) CYP4F2CYP4A11S1PR1ATRRXRA
SCHEMBL1646955 0.77 GSK3B (0.41) CYP4F2CYP4A11S1PR1ATRRXRA

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-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-2784073-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 CYP4F2 527/4885CYP4A11 388/4885S1PR1 4802/4885
US-20110183978-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN CYP4F2 527/4885CYP4A11 388/4885S1PR1 4802/4885

“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.