SCHEMBL4288206

SCHEMBL4288206

Cc1cccc(C(=O)Nc2cn(C3CCCCO3)nc2C(=O)NCCC#N)n1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 13/20 0.37
FLT3 P36888 1/20 0.37
DRD4 P21917 2/20 0.37
DRD2 P14416 1/20 0.37
GRM5 P41594 2/20 0.35
CD274 Q9NZQ7 1/20 0.35
MAPK14 Q16539 1/20 0.35
HTR1A P08908 1/20 0.34
ACKR3 P25106 1/20 0.34

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
SCHEMBL4281443 0.89 IRAK4 (0.38) IRAK4FLT3DRD4DRD2GRM5
SCHEMBL4285756 0.89 IRAK4 (0.40) IRAK4FLT3DRD4DRD2GRM5
SCHEMBL4288451 0.87 IRAK4 (0.38) IRAK4FLT3DRD4DRD2GRM5
SCHEMBL4284557 0.86 KDM4E (0.39) IRAK4FLT3DRD4DRD2GRM5
SCHEMBL4287269 0.86 MEN1 (0.41) IRAK4FLT3DRD4DRD2GRM5
SCHEMBL4287284 0.85 HPGD (0.42) CD274
SCHEMBL4283524 0.85 IRAK4 (0.40) IRAK4FLT3DRD4DRD2
SCHEMBL4289532 0.85 IRAK4 (0.41) IRAK4FLT3DRD4DRD2GRM5
SCHEMBL4284524 0.85 ALDH1A1 (0.43) IRAK4FLT3ACKR3
SCHEMBL4288766 0.85 CD274 (0.42) CD274

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 415/4885FLT3 1172/4885DRD4 4389/4885

“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.