SCHEMBL4291265

SCHEMBL4291265

Cc1cccc(C(=O)Nc2cn(C3CCCCO3)nc2C(=O)NCCOc2ccc(F)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.39
GPR6 P46095 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
IRAK4 Q9NWZ3 9/20 0.37
FLT3 P36888 1/20 0.37
PRKAA2 P54646 1/20 0.36
MAPT P10636 2/20 0.36
NTRK1 P04629 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
MAPK1 P28482 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
SCHEMBL4284557 0.88 KDM4E (0.39) GRM5IRAK4FLT3MAPTDRD2
SCHEMBL4281443 0.88 IRAK4 (0.38) GRM5IRAK4FLT3DRD2DRD4
SCHEMBL4285756 0.85 IRAK4 (0.40) GRM5IRAK4FLT3DRD2DRD4
SCHEMBL4284524 0.85 ALDH1A1 (0.43) IRAK4FLT3MAPTL3MBTL1
SCHEMBL4287269 0.84 MEN1 (0.41) GRM5IRAK4FLT3DRD2DRD4
SCHEMBL4288206 0.84 IRAK4 (0.37) GRM5IRAK4FLT3DRD2DRD4
SCHEMBL4283524 0.84 IRAK4 (0.40) IRAK4FLT3DRD2DRD4
SCHEMBL4289532 0.84 IRAK4 (0.41) GRM5IRAK4FLT3DRD2DRD4
SCHEMBL4287669 0.81 IRAK4 (0.44) GRM5IRAK4FLT3
SCHEMBL4285098 0.81 GRM5 (0.40) GRM5IRAK4FLT3

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 GRM5 3842/4885GPR6 3854/4885SMN1; SMN2 4064/4885

“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.