SCHEMBL4291202

SCHEMBL4291202

O=C(Nc1cn(C2CCCCO2)nc1C(=O)O)c1cc(Cl)ccn1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 13/20 0.40
IRAK1 P51617 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PYGL P06737 3/20 0.38
PYGM P11217 3/20 0.38
KDM4C Q9H3R0 1/20 0.37
ACKR3 P25106 1/20 0.36

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
SCHEMBL4279651 0.90 IRAK4 (0.40) IRAK4IRAK1NPC1RAB9A
SCHEMBL4283174 0.87 MAPT (0.45) IRAK4IRAK1NPC1RAB9A
SCHEMBL4287650 0.84 IRAK4 (0.36) IRAK4IRAK1NPC1RAB9AACKR3
SCHEMBL4281132 0.81 HTT (0.42) NPC1RAB9A
SCHEMBL4285098 0.79 GRM5 (0.40) IRAK4IRAK1
SCHEMBL22236075 0.78 HDAC1 (0.45)
SCHEMBL4289295 0.77 RORC (0.45) IRAK4ACKR3
SCHEMBL4285703 0.77 MAPT (0.43) IRAK4IRAK1NPC1RAB9A
SCHEMBL4284040 0.75 POLB (0.46) NPC1RAB9A
SCHEMBL4285697 0.75 POLB (0.48) IRAK4NPC1RAB9A

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 415/4885IRAK1 148/4885NPC1 1266/4885

“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.