SCHEMBL3486151

SCHEMBL3486151

CC(C)(C)c1ccc(C(=O)Nc2cn3cc(-c4cn[nH]c4)ccc3n2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 7/20 1.00
CLK1 P49759 4/20 1.00
MAP3K5 Q99683 11/20 0.79
HRH1 P35367 2/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
CHRM1 P11229 1/20 0.47
DRD2 P14416 1/20 0.47
ADRA2B P18089 1/20 0.47
DRD1 P21728 1/20 0.47
HRH2 P25021 1/20 0.47
ADRA1D P25100 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR1E P28566 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
OPRM1 P35372 1/20 0.47

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
SCHEMBL3486166 0.88 MAP3K5 (1.00) CLK2CLK1MAP3K5HRH1HTR1A
SCHEMBL3486676 0.83 CLK2 (0.75) CLK2CLK1MAP3K5HRH1HTR1A
SCHEMBL3485554 0.83 MAP3K5 (0.83) CLK2CLK1MAP3K5HRH1HTR1A
SCHEMBL3487230 0.83 MAP3K5 (0.82) CLK2CLK1MAP3K5HRH1HTR1A
SCHEMBL3485541 0.83 CLK2 (0.80) CLK2CLK1MAP3K5HRH1HTR1A
SCHEMBL3486027 0.83 MAP3K5 (0.82) CLK2CLK1MAP3K5HRH1HTR1A
SCHEMBL3485455 0.81 CLK1 (0.71) CLK2CLK1MAP3K5MCHR1
SCHEMBL3486095 0.80 CLK2 (0.73) CLK2CLK1MAP3K5HRH1HTR1A
Hydrochloric Acid SCHEMBL3486014 0.79 CLK2 (0.72) CLK2CLK1MAP3K5HRH1HTR1A
SCHEMBL3486061 0.74 MAP3K5 (0.77) CLK2CLK1MAP3K5

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
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 2521/4885CLK1 2385/4885MAP3K5 42/4885

“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.