SCHEMBL4285457

SCHEMBL4285457

N#CCCCNC(=O)c1nn(C2CCCCO2)cc1NC(=O)c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
GRM4 Q14833 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
IRAK4 Q9NWZ3 4/20 0.38
NAMPT P43490 1/20 0.36
EPHX2 P34913 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PRKCB P05771 1/20 0.35
CD274 Q9NZQ7 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
SCHEMBL4293881 0.90 POLB (0.46) POLBMAPTGRM4SMN1; SMN2IRAK4
SCHEMBL4284336 0.90 MAPT (0.44) POLBMAPTGRM4SMN1; SMN2IRAK4
SCHEMBL4285697 0.88 POLB (0.48) POLBMAPTGRM4SMN1; SMN2IRAK4
SCHEMBL4284348 0.88 SMN1; SMN2 (0.44) POLBMAPTGRM4SMN1; SMN2IRAK4
SCHEMBL4286893 0.86 MAPT (0.41) POLBMAPTGRM4SMN1; SMN2IRAK4
SCHEMBL4290861 0.85 MAPT (0.43) POLBMAPTGRM4SMN1; SMN2IRAK4
SCHEMBL4284570 0.85 IRAK4 (0.43) POLBMAPTGRM4SMN1; SMN2IRAK4
SCHEMBL4287113 0.85 MAPT (0.43) POLBMAPTGRM4SMN1; SMN2IRAK4
SCHEMBL4294914 0.85 POLB (0.43) POLBMAPTGRM4SMN1; SMN2IRAK4
SCHEMBL4287650 0.85 IRAK4 (0.36) IRAK4NPC1RAB9ACD274

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 POLB 3501/4885MAPT 868/4885GRM4 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.