SCHEMBL3094572

SCHEMBL3094572

CC(C)Nc1nccc(-c2c(-c3ccc(F)cc3)nn3c2CCCC3)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.52
CSNK1D P48730 2/20 0.52
MAPK13 O15264 9/20 0.49
MAPK12 P53778 8/20 0.49
MAPK11 Q15759 8/20 0.49
THRB P10828 2/20 0.48
TGFBR1 P36897 1/20 0.47
ACVR1 Q04771 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
LCK P06239 1/20 0.44
LYN P07948 1/20 0.44
MAPK1 P28482 1/20 0.44
AKT2 P31751 1/20 0.44
FLT4 P35916 1/20 0.44
FLT3 P36888 1/20 0.44
FRK P42685 1/20 0.44
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
CSNK1A1 P48729 1/20 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
SCHEMBL3112056 0.91 MAPK14 (0.51) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL10290368 0.90 CSNK1D (0.53) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL3109802 0.90 ACVR1 (0.49) MAPK14MAPK13MAPK12MAPK11THRB
SCHEMBL10290363 0.87 CSNK1D (0.51) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL10290856 0.86 CSNK1D (0.54) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL3107825 0.85 CSNK1D (0.49) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL3108242 0.85 CSNK1D (0.71) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL3102458 0.85 CSNK1D (0.49) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL3102530 0.85 CSNK1D (0.51) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL3102415 0.85 MAPK14 (0.52) MAPK14CSNK1DMAPK13MAPK12MAPK11

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 6 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
EP-2409570-A2 Fungicidal mixtures based on pyrazolopyridine compounds BASF SE (DE) 2012-01-25 EP 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 MAPK14 3609/4885CSNK1D 1670/4885MAPK13 3354/4885

“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.