SCHEMBL17417044

SCHEMBL17417044

COc1ccnc(C(=O)N[C@H]2CCOC[C@@H](Cc3ccccc3)[C@H](C)OC2=O)c1O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.36
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
TAS1R3 Q7RTX0 3/20 0.33
TAS1R1 Q7RTX1 3/20 0.33
PDE4D Q08499 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
TAS1R2 Q8TE23 1/20 0.32

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
SCHEMBL19088921 0.93 RIPK1 (0.36) RIPK1TAS1R3TAS1R1PDE4DPDE4A
SCHEMBL17426939 0.92 RIPK1 (0.34) RIPK1TAS1R3TAS1R1TAS1R2
SCHEMBL17898764 0.90 RIPK1 (0.33) RIPK1
SCHEMBL17427116 0.89 ITGA4 (0.36) MEN1KMT2ATAS1R3TAS1R1
SCHEMBL19084210 0.89 TAS1R3 (0.38) RIPK1TAS1R3TAS1R1TAS1R2
SCHEMBL17427151 0.89 RIPK1 (0.35) RIPK1MEN1CYP1A2KMT2APDE4D
SCHEMBL19088924 0.88 PDE4D (0.36) RIPK1PDE4DPDE4APDE4BPDE4C
SCHEMBL19628447 0.87 MERTK (0.36) MEN1CYP1A2KMT2ATAS1R3TAS1R1
SCHEMBL17427098 0.87 RIPK1 (0.35) RIPK1PDE4DPDE4APDE4BPDE4C
SCHEMBL17898828 0.87 RIPK1 (0.34) RIPK1TAS1R3TAS1R1PDE4DPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170273303-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES CORTEVA AGRISCIENCE LLC 2017-09-28 US disclosed
US-20170273303-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES CORTEVA AGRISCIENCE LLC 2017-09-28 US disclosed
US-20170273303-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES CORTEVA AGRISCIENCE LLC 2017-09-28 US disclosed
US-9686984-B2 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2017-06-27 US disclosed
US-9686984-B2 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2017-06-27 US disclosed
US-9686984-B2 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2017-06-27 US disclosed
US-20160007602-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC 2016-01-14 US disclosed
US-20160007602-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC 2016-01-14 US disclosed
US-20160007602-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC 2016-01-14 US disclosed
WO-2016007531-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2016-01-14 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 (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-20170273303-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES CYP4F12, CYP1A2, FKBP2 RIPK1 4127/4885MEN1 1512/4885CYP1A2 2/4885
US-20160007602-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES CYP4F12, CYP1A2, FKBP2 RIPK1 4127/4885MEN1 1512/4885CYP1A2 2/4885

“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.