SCHEMBL4283261

SCHEMBL4283261

Cc1cccc(C(=O)Nc2cn(C3CCCCO3)nc2C(=O)NCC(O)Cc2ccccc2)n1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 10/20 0.36
ACKR3 P25106 2/20 0.36
FLT3 P36888 1/20 0.35
MMP13 P45452 3/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL4279897 0.89 POLB (0.41) IRAK4ACKR3
SCHEMBL4285098 0.84 GRM5 (0.40) IRAK4FLT3
SCHEMBL4281443 0.83 IRAK4 (0.38) IRAK4FLT3DRD2DRD4
SCHEMBL4285756 0.83 IRAK4 (0.40) IRAK4FLT3MMP13DRD2DRD4
SCHEMBL4283524 0.83 IRAK4 (0.40) IRAK4FLT3DRD2DRD4
SCHEMBL4289532 0.83 IRAK4 (0.41) IRAK4FLT3DRD2DRD4
SCHEMBL4284557 0.82 KDM4E (0.39) IRAK4ACKR3FLT3MMP13DRD2
SCHEMBL4288206 0.81 IRAK4 (0.37) IRAK4ACKR3FLT3DRD2DRD4
SCHEMBL4292314 0.81 IRAK4 (0.39) IRAK4ACKR3FLT3DRD2DRD4
SCHEMBL4293170 0.81 MAPT (0.42) IRAK4PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156582-A1 Pyrazole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
EP-1847531-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-24 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-20090156582-A1 Pyrazole Compound GSK3B, GSK3A, GSKIP IRAK4 415/4885ACKR3 885/4885FLT3 1172/4885

“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.