SCHEMBL23680945

SCHEMBL23680945

COc1ccnc(C(=O)N[C@@H](C)C(=O)OC2CCC2(c2cccc(C)c2)c2cccc(C)c2)c1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.34
PRKACA P17612 1/20 0.34
FRK P42685 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
NEK4 P51957 1/20 0.34
PRKCD Q05655 1/20 0.34
SLK Q9H2G2 1/20 0.34
PLK3 Q9H4B4 1/20 0.34
MAPT P10636 3/20 0.33
NPC1 O15118 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
KCNA3 P22001 1/20 0.31
KCNK3 O14649 1/20 0.31
KCNK9 Q9NPC2 1/20 0.31

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
SCHEMBL29501721 1.00 EGFR (0.34) EGFRPRKACAFRKGSK3AGSK3B
SCHEMBL23680932 0.91 MEN1 (0.37) KDM4EHDAC3HDAC1HDAC2HDAC6
SCHEMBL29501726 0.90 HTR1A (0.38) KCNA3ATMHTR1AADRA1DADRA1A
SCHEMBL23680921 0.90 HTR1A (0.38) KCNA3ATMHTR1AADRA1DADRA1A
SCHEMBL23672523 0.89 KCNA3 (0.31) TDP1KCNA3MEN1KMT2AHTR1A
SCHEMBL29501779 0.89 KCNA3 (0.31) TDP1KCNA3MEN1KMT2AHTR1A
SCHEMBL23672521 0.89 KCNA3 (0.31) TDP1KCNA3MEN1KMT2AHTR1A
SCHEMBL23680929 0.85 MET (0.33) EGFRFRKKCNA3HTR1AADRA1D
SCHEMBL23680928 0.85 TP53 (0.34) MAPTNPC1LMNAHTTATM
SCHEMBL29501723 0.85 MET (0.33) EGFRFRKKCNA3HTR1AADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210227826-A1 Microbiocidal Picolinamide Derivatives SYNGENTA PARTICIPATIONS AG (CH) 2021-07-29 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-20210227826-A1 Microbiocidal Picolinamide Derivatives CASP2, CASP1, MSR1 EGFR 4651/4885PRKACA 3428/4885FRK 4413/4885

“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.