SCHEMBL4288424

SCHEMBL4288424

N#CCCNC(=O)c1nn(C2CCCCO2)cc1NC(=O)C1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.37
ABL1 P00519 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
JAK1 P23458 4/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
CNR2 P34972 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
JAK2 O60674 2/20 0.31
JAK3 P52333 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.30
KMT2A Q03164 1/20 0.30
TYK2 P29597 1/20 0.30
HSP90AB1 P08238 1/20 0.30

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
SCHEMBL4284325 0.87 CD274 (0.36) CD274ABL1
SCHEMBL4289272 0.86 CD274 (0.41) CD274ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL4288766 0.85 CD274 (0.42) CD274ALDH1A1MAPTNPC1RAB9A
SCHEMBL4279964 0.84 TSHR (0.39) CD274ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL4285433 0.84 CD274 (0.38) CD274ABL1RAB9ASMN1; SMN2
SCHEMBL4288246 0.84 RORC (0.40) CD274KDM4E
SCHEMBL4279726 0.83 HPGD (0.41) CD274ALDH1A1MAPTNPC1RAB9A
SCHEMBL4279659 0.83 SMN1; SMN2 (0.41) CD274ABL1ALDH1A1NPC1RAB9A
SCHEMBL4281645 0.83 CD274 (0.41) CD274JAK1NPC1RAB9AABCG2
SCHEMBL4288394 0.83 LMNA (0.39) CD274ALDH1A1MAPTNPC1RAB9A

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 CD274 2230/4885ABL1 3523/4885ALDH1A1 694/4885

“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.