SCHEMBL19628447

SCHEMBL19628447

COc1ccnc(C(=O)N[C@H]2CCOC[C@@H](OCc3ccccc3)[C@H](C)OC2=O)c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 3/20 0.36
AXL P30530 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36
LRRK2 Q5S007 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
NAAA Q02083 1/20 0.34
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
MAPT P10636 1/20 0.34
CYP2C19 P33261 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
PDE4A P27815 1/20 0.34

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
SCHEMBL19091129 0.94 MERTK (0.35) MERTKAXLLRRK2PSEN1PSEN2
SCHEMBL17898752 0.90 LRRK2 (0.35) MERTKAXLLRRK2PSEN1PSEN2
SCHEMBL19099483 0.90 TAS1R3 (0.39) MERTKAXLMEN1KMT2ANAAA
SCHEMBL19628476 0.88 MERTK (0.34) MERTKAXLMEN1CYP1A2KMT2A
SCHEMBL19628458 0.88 RIPK1 (0.33) MEN1CYP1A2KMT2ATAS1R3TAS1R1
SCHEMBL17899017 0.88 HPGDS (0.34) MEN1CYP1A2KMT2A
SCHEMBL15373805 0.87 MERTK (0.38) MERTKAXLCYP1A2LRRK2PSEN1
SCHEMBL15366475 0.87 MERTK (0.38) MERTKAXLCYP1A2LRRK2PSEN1
SCHEMBL15366755 0.87 MERTK (0.38) MERTKAXLCYP1A2LRRK2PSEN1
SCHEMBL15373806 0.87 MERTK (0.38) MERTKAXLCYP1A2LRRK2PSEN1

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 MERTK 3748/4885AXL 2819/4885MEN1 1512/4885

“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.