SCHEMBL3113155

SCHEMBL3113155

Fc1ccc(-c2nn3c(c2-c2ccnc(NCC4CC4)n2)CCNC3)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 2/20 0.51
PRKD3 O94806 1/20 0.51
MAP4K4 O95819 1/20 0.51
PRKCG P05129 1/20 0.51
FGFR1 P11362 1/20 0.51
MAPK1 P28482 1/20 0.51
FLT4 P35916 1/20 0.51
FRK P42685 1/20 0.51
MAPK8 P45983 1/20 0.51
MAPK9 P45984 1/20 0.51
CSNK1A1 P48729 1/20 0.51
GSK3A P49840 1/20 0.51
GSK3B P49841 1/20 0.51
CSNK1G2 P78368 1/20 0.51
TAOK1 Q7L7X3 1/20 0.51
MINK1 Q8N4C8 1/20 0.51
PRKD2 Q9BZL6 1/20 0.51
SLK Q9H2G2 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
MAP3K20 Q9NYL2 1/20 0.51

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
SCHEMBL13254957 0.87 MAPK14 (0.56) CSNK1DPRKD3MAP4K4PRKCGFGFR1
SCHEMBL3105147 0.84 CSNK1D (0.60) CSNK1DPRKD3MAP4K4MAPK1MAPK8
SCHEMBL3107780 0.80 KCNH2 (0.46) CSNK1DPRKD3MAP4K4MAPK1MAPK8
SCHEMBL3107978 0.80 CSNK1D (0.42) CSNK1DPRKD3MAP4K4PRKCGMAPK1
SCHEMBL3109621 0.77 MAPK14 (0.46) CSNK1DMAPK14MAPK13MAPK12MAPK11
SCHEMBL21621308 0.76 MAPK14 (0.62) CSNK1DPRKD3MAP4K4PRKCGFGFR1
SCHEMBL10290860 0.76 CSNK1D (0.52) CSNK1DGSK3BMAPK14MAPK13MAPK12
SCHEMBL10290363 0.75 CSNK1D (0.51) CSNK1DGSK3BMAPK14MAPK13MAPK12
SCHEMBL3100630 0.75 PTGS2 (0.39) CSNK1DMAPK14
SCHEMBL10290858 0.73 CSNK1D (0.68) CSNK1DPRKD3MAP4K4MAPK1MAPK8

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-8288375-B2 Fungicidal bicyclic pyrazoles E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-10-16 US disclosed
US-20100273775-A1 FUNGICIDAL BICYCLIC PYRAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-10-28 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-20100273775-A1 FUNGICIDAL BICYCLIC PYRAZOLES CYP1B1, CBR1, CYP1A1 CSNK1D 1670/4885PRKD3 1012/4885MAP4K4 2812/4885

“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.