SCHEMBL3099814

SCHEMBL3099814

Fc1ccc(-c2nn3c(c2-c2ccnc(Cl)n2)CCCN3)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 2/20 0.38
THRB P10828 2/20 0.37
GSK3B P49841 5/20 0.35
MAPK14 Q16539 2/20 0.34
TGFBR1 P36897 1/20 0.34
MAPK13 O15264 1/20 0.34
RIPK2 O43353 1/20 0.34
DYRK3 O43781 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
PRKCG P05129 1/20 0.34
LCK P06239 1/20 0.34
LYN P07948 1/20 0.34
RET P07949 1/20 0.34
PIM1 P11309 1/20 0.34
PRKACA P17612 1/20 0.34
MAPK1 P28482 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
MAPK9 P45984 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
SCHEMBL3107423 0.83 CSNK1D (0.56) CSNK1DGSK3BMAPK14MAPK13PRKD3
SCHEMBL3110918 0.80 THRB (0.54) CSNK1DTHRBMAPK14TGFBR1
SCHEMBL3095762 0.79 MAPK14 (0.44) CSNK1DGSK3BMAPK14MAPK13MAPK1
SCHEMBL3107978 0.79 CSNK1D (0.42) CSNK1DTHRBMAPK14TGFBR1MAPK13
SCHEMBL3090683 0.77 THRB (0.41) CSNK1DTHRBGSK3BMAPK14TGFBR1
SCHEMBL10290857 0.67 THRB (0.56) CSNK1DTHRBMAPK14TGFBR1MAPK13
SCHEMBL446173 0.67 MEN1 (0.58) MAP4K4GRM5
SCHEMBL3102476 0.67 CSNK1D (0.38) CSNK1DTHRBGSK3BMAPK14TGFBR1
SCHEMBL10290371 0.67 THRB (0.52) CSNK1DTHRBMAPK14TGFBR1MAPK13
SCHEMBL25219496 0.66 MAPK14 (0.48) CSNK1DMAPK14MAPK13RIPK2DYRK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217600-B1 FUNGICIDAL BICYCLIC PYRAZOLES DU PONT (US) 2012-12-05 EP claimed
US-20100273775-A1 FUNGICIDAL BICYCLIC PYRAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-10-28 US claimed
EP-2217600-B1 FUNGICIDAL BICYCLIC PYRAZOLES DU PONT (US) 2012-12-05 EP disclosed
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 1670/4885THRB 4120/4885GSK3B 3034/4885

“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.