SCHEMBL3108243

SCHEMBL3108243

Fc1ccc(-c2nn3c(c2-c2ccnc(NC4CCC4)n2)CCCC3)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 3/20 0.67
MAPK13 O15264 1/20 0.50
MAPK12 P53778 1/20 0.50
MAPK11 Q15759 1/20 0.50
MAPK14 Q16539 1/20 0.50
MAPK10 P53779 2/20 0.47
THRB P10828 3/20 0.47
CDK4 P11802 2/20 0.46
PRKD3 O94806 2/20 0.44
MAP4K4 O95819 2/20 0.44
MAPK1 P28482 2/20 0.44
MAPK8 P45983 2/20 0.44
MAPK9 P45984 2/20 0.44
CSNK1A1 P48729 2/20 0.44
GSK3A P49840 2/20 0.44
GSK3B P49841 2/20 0.44
CSNK1G2 P78368 2/20 0.44
TAOK1 Q7L7X3 2/20 0.44
MINK1 Q8N4C8 2/20 0.44
PRKD2 Q9BZL6 2/20 0.44

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
SCHEMBL10290370 0.98 CSNK1D (0.67) CSNK1DMAPK13MAPK12MAPK11MAPK14
SCHEMBL3112050 0.97 CSNK1D (0.68) CSNK1DMAPK13MAPK12MAPK11MAPK14
SCHEMBL10290858 0.95 CSNK1D (0.68) CSNK1DMAPK13MAPK12MAPK11MAPK14
SCHEMBL3110798 0.87 MAPK10 (0.55) CSNK1DMAPK13MAPK12MAPK11MAPK14
SCHEMBL3105147 0.87 CSNK1D (0.60) CSNK1DMAPK13MAPK12MAPK11MAPK14
SCHEMBL10290368 0.86 CSNK1D (0.53) CSNK1DMAPK13MAPK12MAPK11MAPK14
SCHEMBL13254957 0.85 MAPK14 (0.56) CSNK1DMAPK13MAPK12MAPK11MAPK14
SCHEMBL3094572 0.84 MAPK14 (0.52) CSNK1DMAPK13MAPK12MAPK11MAPK14
SCHEMBL10290481 0.84 CSNK1D (0.90) CSNK1DMAPK13MAPK12MAPK11MAPK14
SCHEMBL10290363 0.83 CSNK1D (0.51) CSNK1DMAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1670/4885MAPK13 3354/4885MAPK12 4166/4885

“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.