SCHEMBL3486313

SCHEMBL3486313

CC(C)(CCc1nnn[nH]1)c1ccc(C(=O)Nc2cn3cc(C(F)(F)F)ccc3n2)cc1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 3/20 0.72
MAP3K5 Q99683 13/20 0.50
MCHR1 Q99705 4/20 0.43
RET P07949 1/20 0.42
CDK2 P24941 1/20 0.42
GSK3B P49841 1/20 0.42
ITK Q08881 1/20 0.42
MERTK Q12866 1/20 0.42
PRKAA1 Q13131 1/20 0.42
ROCK1 Q13464 1/20 0.42

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
SCHEMBL3485756 0.91 MAP3K5 (0.61) CLK2MAP3K5RETCDK2GSK3B
SCHEMBL3486384 0.89 MAP3K5 (0.63) CLK2MAP3K5RETCDK2GSK3B
SCHEMBL30789750 0.84 CLK2 (1.00) CLK2MAP3K5MCHR1RETCDK2
SCHEMBL3487041 0.83 MAP3K5 (0.71) CLK2MAP3K5RETCDK2GSK3B
SCHEMBL3486423 0.83 CLK2 (0.70) CLK2MAP3K5MCHR1RETCDK2
SCHEMBL3486408 0.82 CLK2 (0.65) CLK2MAP3K5MCHR1RETCDK2
SCHEMBL3485764 0.81 CLK2 (0.68) CLK2MAP3K5MCHR1RETCDK2
SCHEMBL3487163 0.81 CLK2 (0.67) CLK2MAP3K5MCHR1RETCDK2
SCHEMBL3486279 0.80 CLK2 (0.66) CLK2MAP3K5MCHR1RETCDK2
SCHEMBL3486200 0.79 CLK2 (0.68) CLK2MAP3K5MCHR1RETCDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
EP-2058309-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-05-13 EP 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-20100029619-A1 FUSED HETEROCYCLIC COMPOUND IRAK1, IL1R1, IRAK2 CLK2 2521/4885MAP3K5 42/4885MCHR1 1554/4885

“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.