SCHEMBL4290861

SCHEMBL4290861

O=C(Nc1cn(C2CCCCO2)nc1C(=O)NCCC(F)(F)F)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
GRM4 Q14833 1/20 0.39
IRAK4 Q9NWZ3 3/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CD274 Q9NZQ7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GRM5 P41594 1/20 0.36
EPHX2 P34913 1/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL4287113 0.92 MAPT (0.43) MAPTPOLBGRM4IRAK4NPC1
SCHEMBL4285697 0.90 POLB (0.48) MAPTPOLBGRM4IRAK4NPC1
SCHEMBL4294914 0.88 POLB (0.43) MAPTPOLBGRM4IRAK4NPC1
SCHEMBL4293881 0.88 POLB (0.46) MAPTPOLBGRM4IRAK4NPC1
SCHEMBL4284570 0.86 IRAK4 (0.43) MAPTPOLBGRM4IRAK4NPC1
SCHEMBL4286893 0.86 MAPT (0.41) MAPTPOLBGRM4IRAK4SMN1; SMN2
SCHEMBL4284348 0.86 SMN1; SMN2 (0.44) MAPTPOLBGRM4IRAK4NPC1
SCHEMBL4285457 0.85 POLB (0.41) MAPTPOLBGRM4IRAK4NPC1
SCHEMBL4285540 0.85 NPC1 (0.43) MAPTPOLBGRM4IRAK4NPC1
SCHEMBL4284336 0.84 MAPT (0.44) MAPTPOLBGRM4IRAK4NPC1

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 MAPT 868/4885POLB 3501/4885GRM4 4042/4885

“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.