SCHEMBL4279897

SCHEMBL4279897

O=C(Nc1cn(C2CCCCO2)nc1C(=O)NCC(O)Cc1ccccc1)c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
GRM4 Q14833 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
ITGA4 P13612 1/20 0.34
IRAK4 Q9NWZ3 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
ALDH1A1 P00352 1/20 0.34
EPHX2 P34913 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
BCHE P06276 1/20 0.34
ACKR3 P25106 1/20 0.34
HCRTR2 O43614 1/20 0.34
ABCB1 P08183 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33

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
SCHEMBL4293170 0.90 MAPT (0.42) POLBMAPTGRM4PRMT5WDR77
SCHEMBL4283261 0.89 IRAK4 (0.36) IRAK4ACKR3
SCHEMBL4285697 0.84 POLB (0.48) POLBMAPTGRM4SMN1; SMN2IRAK4
SCHEMBL4283174 0.83 MAPT (0.45) POLBMAPTGRM4SMN1; SMN2IRAK4
SCHEMBL4294914 0.83 POLB (0.43) POLBMAPTGRM4SMN1; SMN2IRAK4
SCHEMBL4284336 0.82 MAPT (0.44) POLBMAPTGRM4SMN1; SMN2IRAK4
SCHEMBL4293881 0.82 POLB (0.46) POLBMAPTGRM4SMN1; SMN2IRAK4
SCHEMBL4284348 0.82 SMN1; SMN2 (0.44) POLBMAPTGRM4SMN1; SMN2IRAK4
SCHEMBL4285457 0.81 POLB (0.41) POLBMAPTGRM4SMN1; SMN2IRAK4
SCHEMBL4290861 0.81 MAPT (0.43) POLBMAPTGRM4SMN1; 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 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.