SCHEMBL4294914

SCHEMBL4294914

O=C(Nc1cn(C2CCCCO2)nc1C(=O)NCCNc1ccccc1)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
GRM4 Q14833 1/20 0.41
IRAK4 Q9NWZ3 3/20 0.40
KMT2A Q03164 2/20 0.39
EPHX2 P34913 1/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
MET P08581 1/20 0.37
KDR P35968 1/20 0.37
MERTK Q12866 1/20 0.37
EPHX1 P07099 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
MCL1 Q07820 1/20 0.36
GRM5 P41594 1/20 0.36

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
SCHEMBL4284570 0.92 IRAK4 (0.43) POLBMAPTGRM4IRAK4KMT2A
SCHEMBL4285697 0.90 POLB (0.48) POLBMAPTGRM4IRAK4KMT2A
SCHEMBL4290861 0.88 MAPT (0.43) POLBMAPTGRM4IRAK4KMT2A
SCHEMBL4293881 0.88 POLB (0.46) POLBMAPTGRM4IRAK4KMT2A
SCHEMBL4284348 0.87 SMN1; SMN2 (0.44) POLBMAPTGRM4IRAK4KMT2A
SCHEMBL4287113 0.86 MAPT (0.43) POLBMAPTGRM4IRAK4EPHX2
SCHEMBL4283174 0.86 MAPT (0.45) POLBMAPTGRM4IRAK4EGFR
SCHEMBL4285540 0.85 NPC1 (0.43) POLBMAPTGRM4IRAK4KMT2A
SCHEMBL4285457 0.85 POLB (0.41) POLBMAPTGRM4IRAK4EPHX2
SCHEMBL4284336 0.84 MAPT (0.44) POLBMAPTGRM4IRAK4NPC1

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.