SCHEMBL4284570

SCHEMBL4284570

O=C(Nc1cn(C2CCCCO2)nc1C(=O)NCCNc1ccccn1)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 11/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
GRM4 Q14833 1/20 0.39
GRM5 P41594 2/20 0.38
KCNH2 Q12809 1/20 0.38
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL4294914 0.92 POLB (0.43) IRAK4POLBMAPTGRM4GRM5
SCHEMBL4285697 0.90 POLB (0.48) IRAK4POLBMAPTGRM4GRM5
SCHEMBL4293881 0.88 POLB (0.46) IRAK4POLBMAPTGRM4KMT2A
SCHEMBL4290861 0.86 MAPT (0.43) IRAK4POLBMAPTGRM4GRM5
SCHEMBL4287113 0.86 MAPT (0.43) IRAK4POLBMAPTGRM4GRM5
SCHEMBL4284348 0.86 SMN1; SMN2 (0.44) IRAK4POLBMAPTGRM4KMT2A
SCHEMBL4285540 0.85 NPC1 (0.43) IRAK4POLBMAPTGRM4GRM5
SCHEMBL4285457 0.85 POLB (0.41) IRAK4POLBMAPTGRM4NPC1
SCHEMBL4284336 0.84 MAPT (0.44) IRAK4POLBMAPTGRM4GRM5
SCHEMBL4286893 0.84 MAPT (0.41) IRAK4POLBMAPTGRM4KMT2A

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 415/4885POLB 3501/4885MAPT 868/4885

“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.