SCHEMBL3485543

SCHEMBL3485543

CC(C)(C(=O)NCCC#N)c1ccc(C(=O)Nc2cn3cc(Cl)ccc3n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 14/20 0.65
CLK2 P49760 3/20 0.44
HRH1 P35367 2/20 0.44
PDGFRB P09619 1/20 0.44
KIT P10721 1/20 0.44
PDGFRA P16234 1/20 0.44
FLT3 P36888 1/20 0.44
CLK1 P49759 1/20 0.44
CLK3 P49761 1/20 0.44
DYRK1A Q13627 1/20 0.44
SIK2 Q9H0K1 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
RET P07949 1/20 0.44
CDK2 P24941 1/20 0.44
GSK3B P49841 1/20 0.44
ITK Q08881 1/20 0.44
MERTK Q12866 1/20 0.44
PRKAA1 Q13131 1/20 0.44
ROCK1 Q13464 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
SCHEMBL13498774 0.92 MAP3K5 (0.69) MAP3K5CLK2HRH1PDGFRBKIT
SCHEMBL3486608 0.86 MAP3K5 (0.72) MAP3K5CLK2HRH1PDGFRBKIT
SCHEMBL3486259 0.85 MAP3K5 (0.70) MAP3K5CLK2RETCDK2GSK3B
SCHEMBL3487004 0.83 MAP3K5 (0.77) MAP3K5CLK2HRH1PDGFRBKIT
SCHEMBL3486606 0.81 MAP3K5 (0.65) MAP3K5CLK2HRH1PDGFRBKIT
SCHEMBL3486197 0.81 MAP3K5 (0.65) MAP3K5CLK2HRH1PDGFRBKIT
SCHEMBL3486491 0.81 MAP3K5 (0.77) MAP3K5CLK2HRH1PDGFRBKIT
SCHEMBL3486220 0.81 MAP3K5 (0.80) MAP3K5CLK2HRH1PDGFRBKIT
SCHEMBL3487190 0.81 MAP3K5 (0.59) MAP3K5CLK2HRH1PDGFRBKIT
SCHEMBL3486097 0.80 MAP3K5 (1.00) MAP3K5CLK2HRH1CLK1RET

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
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 MAP3K5 42/4885CLK2 2521/4885HRH1 271/4885

“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.