SCHEMBL368478

SCHEMBL368478

CC(F)(F)CNC(=O)c1cn(-c2cccnc2)nn1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DDT P30046 3/20 0.47
RIPK1 Q13546 1/20 0.43
MIF P14174 2/20 0.43
GRM5 P41594 1/20 0.41
GRM1 Q13255 1/20 0.41
ACKR3 P25106 3/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DGAT1 O75907 1/20 0.41
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
NTRK1 P04629 1/20 0.39
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
APP P05067 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
SCHEMBL71676 0.81 RIPK1 (0.49) DDTRIPK1MIFACKR3ALDH1A1
SCHEMBL12606935 0.81 PRMT5 (0.52) ALDH1A1DGAT1L3MBTL1
SCHEMBL12606953 0.79 DGAT1 (0.51) ALDH1A1DGAT1CNR1CNR2NTRK1
SCHEMBL17883253 0.77 RIPK1 (0.58) DDTRIPK1MIFACKR3L3MBTL1
SCHEMBL27768446 0.76 ESRRA (0.51) MIFGRM5GRM1
SCHEMBL12571597 0.75 CA12 (0.55) MIFGRM5GRM1ALDH1A1
SCHEMBL16568895 0.75 DGAT1 (0.47) ALDH1A1DGAT1CNR1CNR2KMT2A
SCHEMBL71218 0.75 ESRRA (0.47) RIPK1MIFGRM5GRM1ALDH1A1
SCHEMBL3433181 0.73 THRB (0.62) ALDH1A1KMT2A
SCHEMBL30398916 0.73 ESRRA (0.46) MIFGRM5GRM1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9233951-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-12 US disclosed
US-9233951-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-12 US disclosed
US-9233951-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-12 US disclosed
EP-2593447-A2 NEW HETEROCYCLIC COMPOUNDS AS PESTICIDES Bayer Intellectual Property GmbH (DE) 2013-05-22 EP disclosed
US-20120094837-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROP SCIENCE AG (DE) 2012-04-19 US disclosed
US-20120094837-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROP SCIENCE AG (DE) 2012-04-19 US disclosed
US-20120094837-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROP SCIENCE AG (DE) 2012-04-19 US disclosed
WO-2012007500-A2 NEW HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2012-01-19 WO disclosed
WO-2012007500-A2 NEW HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2012-01-19 WO 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 (1 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-20120094837-A1 Novel Heterocyclic Compounds as Pesticides DDT, PTMS, ACHE DDT 1/4885RIPK1 691/4885MIF 3766/4885

“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.