SCHEMBL23680966

SCHEMBL23680966

COc1ccnc(C(=O)N[C@@H](C)C(=O)OC2CCC2c2ccc(F)cc2F)c1O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.34
CDK9 P50750 10/20 0.33
CCNT1 O60563 8/20 0.33
ANO1 Q5XXA6 1/20 0.33
IDO1 P14902 1/20 0.33
GPR6 P46095 2/20 0.32
KIT P10721 1/20 0.32
PDGFRA P16234 1/20 0.32
FGFR2 P21802 1/20 0.32
AXL P30530 1/20 0.32
KDR P35968 1/20 0.32
PIN1 Q13526 1/20 0.32
CASP3 P42574 2/20 0.32
CASP7 P55210 2/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
MET P08581 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
SCHEMBL29501802 1.00 HCRTR1 (0.34) HCRTR1CDK9CCNT1ANO1IDO1
SCHEMBL23680931 0.88 NR3C2 (0.34) HCRTR1CDK9CCNT1ANO1KIT
SCHEMBL29501811 0.88 NR3C2 (0.34) HCRTR1CDK9CCNT1ANO1KIT
SCHEMBL29501787 0.84 LMNA (0.34) ANO1KDR
SCHEMBL23680937 0.84 LMNA (0.34) ANO1KDR
SCHEMBL23680918 0.80 IDO1 (0.35) IDO1
SCHEMBL29501757 0.80 IDO1 (0.35) IDO1
SCHEMBL23680940 0.76 MET (0.33) HCRTR1CDK9CCNT1KITAXL
SCHEMBL23680929 0.76 MET (0.33) HCRTR1IDO1KITAXLKDR
SCHEMBL29501723 0.76 MET (0.33) HCRTR1IDO1KITAXLKDR

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 HCRTR1 118/4885CDK9 4743/4885CCNT1 4652/4885

“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.