SCHEMBL4287113

SCHEMBL4287113

CC(C)(O)CCNC(=O)c1nn(C2CCCCO2)cc1NC(=O)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
POLB P06746 1/20 0.43
IRAK4 Q9NWZ3 5/20 0.40
GRM4 Q14833 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NTRK1 P04629 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
TSHR P16473 1/20 0.35
EPHX2 P34913 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
SCHEMBL4290861 0.92 MAPT (0.43) MAPTPOLBIRAK4GRM4SMN1; SMN2
SCHEMBL4285697 0.90 POLB (0.48) MAPTPOLBIRAK4GRM4SMN1; SMN2
SCHEMBL4286893 0.89 MAPT (0.41) MAPTPOLBIRAK4GRM4SMN1; SMN2
SCHEMBL4293881 0.88 POLB (0.46) MAPTPOLBIRAK4GRM4SMN1; SMN2
SCHEMBL4287327 0.87 MAPT (0.42) MAPTPOLBIRAK4GRM4SMN1; SMN2
SCHEMBL4284570 0.86 IRAK4 (0.43) MAPTPOLBIRAK4GRM4SMN1; SMN2
SCHEMBL4294914 0.86 POLB (0.43) MAPTPOLBIRAK4GRM4SMN1; SMN2
SCHEMBL4284336 0.86 MAPT (0.44) MAPTPOLBIRAK4GRM4SMN1; SMN2
SCHEMBL4285138 0.86 MAPT (0.41) MAPTPOLBIRAK4GRM4SMN1; SMN2
SCHEMBL4284348 0.86 SMN1; SMN2 (0.44) MAPTPOLBIRAK4GRM4SMN1; SMN2

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 3501/4885IRAK4 415/4885

“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.