SCHEMBL3090683

SCHEMBL3090683

CN1CCCc2c(-c3ccnc(Cl)n3)c(-c3ccc(F)cc3)nn21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.41
TGFBR1 P36897 4/20 0.40
CSNK1D P48730 2/20 0.39
GRM5 P41594 1/20 0.37
MAP4K4 O95819 1/20 0.37
EGFR P00533 1/20 0.37
FRK P42685 1/20 0.37
MAPK9 P45984 1/20 0.37
CSNK1A1 P48729 1/20 0.37
GSK3B P49841 3/20 0.35
MAPK14 Q16539 3/20 0.35

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
SCHEMBL3105041 0.83 CSNK1D (0.57) CSNK1DMAP4K4MAPK9CSNK1A1GSK3B
SCHEMBL3110918 0.81 THRB (0.54) THRBTGFBR1CSNK1DMAPK14
SCHEMBL3099814 0.77 CSNK1D (0.38) THRBTGFBR1CSNK1DGRM5MAP4K4
SCHEMBL3102476 0.76 CSNK1D (0.38) THRBTGFBR1CSNK1DGSK3BMAPK14
SCHEMBL3107978 0.73 CSNK1D (0.42) THRBTGFBR1CSNK1DMAP4K4MAPK9
SCHEMBL10290857 0.73 THRB (0.56) THRBTGFBR1CSNK1DMAPK14
SCHEMBL10290856 0.72 CSNK1D (0.54) THRBTGFBR1CSNK1DGSK3BMAPK14
SCHEMBL10290371 0.70 THRB (0.52) THRBTGFBR1CSNK1DMAPK14
SCHEMBL3105536 0.70 CSNK1D (0.53) CSNK1DMAP4K4MAPK9CSNK1A1GSK3B
SCHEMBL10290860 0.69 CSNK1D (0.52) THRBTGFBR1CSNK1DGSK3BMAPK14

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 THRB 4120/4885TGFBR1 1459/4885CSNK1D 1670/4885

“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.