SCHEMBL4287327

SCHEMBL4287327

CC(C)(CO)CNC(=O)c1nn(C2CCCCO2)cc1NC(=O)c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
POLB P06746 1/20 0.42
GRM4 Q14833 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
IRAK4 Q9NWZ3 9/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
NTRK1 P04629 1/20 0.36
TSHR P16473 1/20 0.35
CCR8 P51685 1/20 0.35
CNR2 P34972 1/20 0.35
GRM5 P41594 1/20 0.34
IRAK1 P51617 2/20 0.34
KCNH2 Q12809 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL4292314 0.89 IRAK4 (0.39) IRAK4GRM5
SCHEMBL4285138 0.89 MAPT (0.41) MAPTPOLBGRM4SMN1; SMN2IRAK4
SCHEMBL4292686 0.88 CNR2 (0.43) MAPTPOLBGRM4SMN1; SMN2IRAK4
SCHEMBL4287113 0.87 MAPT (0.43) MAPTPOLBGRM4SMN1; SMN2IRAK4
SCHEMBL4285697 0.87 POLB (0.48) MAPTPOLBGRM4SMN1; SMN2IRAK4
SCHEMBL4293881 0.85 POLB (0.46) MAPTPOLBGRM4SMN1; SMN2IRAK4
SCHEMBL4284336 0.85 MAPT (0.44) MAPTPOLBGRM4SMN1; SMN2IRAK4
SCHEMBL4286893 0.85 MAPT (0.41) MAPTPOLBGRM4SMN1; SMN2IRAK4
SCHEMBL4292257 0.85 MAPT (0.38) MAPTPOLBGRM4SMN1; SMN2IRAK4
SCHEMBL4290861 0.84 MAPT (0.43) MAPTPOLBGRM4SMN1; SMN2IRAK4

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.