SCHEMBL3486543

SCHEMBL3486543

Cn1cc(-c2ccc3nc(NC(=O)c4ccc(C(C)(C)C)nc4)cn3n2)cn1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 2/20 0.55
CLK2 P49760 2/20 0.55
CSNK1D P48730 18/20 0.53
CSNK1E P49674 18/20 0.53

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
SCHEMBL3487219 0.88 CSNK1D (0.56) CSNK1DCSNK1E
SCHEMBL3486676 0.83 CLK2 (0.75) CLK1CLK2
SCHEMBL3486343 0.81 CLK1 (0.58) CLK1CLK2CSNK1DCSNK1E
SCHEMBL3486162 0.77 MAP3K5 (0.50) CSNK1DCSNK1E
SCHEMBL3486280 0.74 MAP3K5 (0.67) CSNK1DCSNK1E
SCHEMBL13498815 0.74 MAP3K5 (0.56) CSNK1DCSNK1E
SCHEMBL17289422 0.74 CSNK1D (0.82) CSNK1DCSNK1E
SCHEMBL13498812 0.74 MAP3K5 (0.55) CSNK1DCSNK1E
SCHEMBL3485613 0.73 MAP3K5 (0.70) CSNK1DCSNK1E
SCHEMBL3485622 0.72 MAP3K5 (0.72) CLK1CLK2CSNK1DCSNK1E

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 5 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
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 CLK1 2385/4885CLK2 2521/4885CSNK1D 666/4885

“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.