SCHEMBL3102476

SCHEMBL3102476

O=C(OCc1ccccc1)N1CCCc2c(-c3ccnc(Cl)n3)c(-c3ccc(F)cc3)nn21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.38
TRPC3 Q13507 1/20 0.37
TRPC7 Q9HCX4 1/20 0.37
THRB P10828 2/20 0.36
KCNK3 O14649 4/20 0.36
MAPK14 Q16539 3/20 0.35
MAPK13 O15264 2/20 0.35
MAPK12 P53778 2/20 0.35
MAPK11 Q15759 2/20 0.35
GSK3B P49841 1/20 0.35
TGFBR1 P36897 1/20 0.34
JMJD6 Q6NYC1 1/20 0.34
GRIN2B Q13224 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
SCHEMBL3091756 0.87 CSNK1D (0.47) CSNK1DMAPK14MAPK13MAPK12MAPK11
SCHEMBL3102248 0.85 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11
SCHEMBL3108073 0.81 GRM5 (0.43) CSNK1DTRPC3TRPC7KCNK3GRIN2B
SCHEMBL3090683 0.76 THRB (0.41) CSNK1DTHRBMAPK14GSK3BTGFBR1
SCHEMBL13254961 0.70 MAPK14 (0.45) CSNK1DMAPK14MAPK13MAPK12MAPK11
SCHEMBL3110918 0.70 THRB (0.54) CSNK1DTHRBMAPK14TGFBR1
SCHEMBL3105536 0.69 CSNK1D (0.53) CSNK1DMAPK14MAPK13MAPK12MAPK11
SCHEMBL19998108 0.67 THRB (0.45) CSNK1DTHRBKCNK3TGFBR1
SCHEMBL3099814 0.67 CSNK1D (0.38) CSNK1DTHRBMAPK14MAPK13MAPK12
SCHEMBL30796964 0.67 GRM5 (0.53) GRIN2B

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 1670/4885TRPC3 4229/4885TRPC7 4509/4885

“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.