SCHEMBL4292257

SCHEMBL4292257

CC(C#N)(CNC(=O)c1nn(C2CCCCO2)cc1NC(=O)c1ccccn1)Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
POLB P06746 1/20 0.38
DPP4 P27487 2/20 0.36
GRM4 Q14833 2/20 0.36
IRAK4 Q9NWZ3 7/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
GPR6 P46095 1/20 0.34
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
KCNH2 Q12809 1/20 0.33
TSHR P16473 1/20 0.32
CCR8 P51685 1/20 0.32

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
SCHEMBL4285138 0.90 MAPT (0.41) MAPTPOLBDPP4GRM4IRAK4
SCHEMBL4284336 0.86 MAPT (0.44) MAPTPOLBGRM4IRAK4SMN1; SMN2
SCHEMBL4287327 0.85 MAPT (0.42) MAPTPOLBGRM4IRAK4SMN1; SMN2
SCHEMBL4287113 0.83 MAPT (0.43) MAPTPOLBGRM4IRAK4SMN1; SMN2
SCHEMBL4285457 0.81 POLB (0.41) MAPTPOLBGRM4IRAK4SMN1; SMN2
SCHEMBL4285697 0.81 POLB (0.48) MAPTPOLBGRM4IRAK4SMN1; SMN2
SCHEMBL4279897 0.81 POLB (0.41) MAPTPOLBGRM4IRAK4SMN1; SMN2
SCHEMBL4286893 0.81 MAPT (0.41) MAPTPOLBGRM4IRAK4SMN1; SMN2
SCHEMBL4283174 0.80 MAPT (0.45) MAPTPOLBGRM4IRAK4SMN1; SMN2
SCHEMBL4292686 0.80 CNR2 (0.43) MAPTPOLBGRM4IRAK4SMN1; 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 3501/4885DPP4 639/4885

“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.