SCHEMBL19628458

SCHEMBL19628458

COc1ccnc(C(=O)N[C@H]2CCOC[C@@H](Oc3ccccc3)[C@H](C)OC2=O)c1O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 8/20 0.33
GRM4 Q14833 2/20 0.33
PTK2 Q05397 1/20 0.32
PTK2B Q14289 1/20 0.32
GRM5 P41594 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
IGF1R P08069 1/20 0.32
MET P08581 1/20 0.32
KDR P35968 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 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
SCHEMBL17898803 0.94 HPGDS (0.33) RIPK1PTK2PTK2BGRM5MEN1
SCHEMBL19091125 0.93 GRM4 (0.34) RIPK1GRM4PTK2PTK2BGRM5
SCHEMBL19066904 0.93 GRM4 (0.34) RIPK1GRM4PTK2PTK2BGRM5
SCHEMBL17898773 0.92 HPGDS (0.33) RIPK1PTK2PTK2BGRM5IGF1R
SCHEMBL17899026 0.90 HPGDS (0.31) RIPK1MEN1CYP1A2KMT2A
SCHEMBL19628479 0.90 RIPK1 (0.34) RIPK1
SCHEMBL19099727 0.89 TAS1R3 (0.36) MEN1KMT2APDE4DTAS1R3TAS1R1
SCHEMBL17898891 0.89 RIPK1 (0.30) RIPK1
SCHEMBL17898780 0.88 HPGDS (0.30)
SCHEMBL17899024 0.88 HPGDS (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170334934-A1 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2017-11-23 US disclosed
US-20170334934-A1 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2017-11-23 US 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-20170334934-A1 Macrocyclic picolinamides as fungicides CYP4F12, CYP1A2, FKBP2 RIPK1 4127/4885GRM4 1756/4885PTK2 4288/4885

“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.