SCHEMBL4285455

SCHEMBL4285455

CCC(C#N)NC(=O)c1nn(C2CCCCO2)cc1NC(=O)c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
GRM4 Q14833 6/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
IRAK4 Q9NWZ3 8/20 0.39
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
IRAK1 P51617 2/20 0.37
GRM5 P41594 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL4284336 0.86 MAPT (0.44) SMN1; SMN2GRM4MAPTPOLBIRAK4
SCHEMBL4293170 0.84 MAPT (0.42) SMN1; SMN2GRM4MAPTPOLBIRAK4
SCHEMBL4285457 0.83 POLB (0.41) SMN1; SMN2GRM4MAPTPOLBIRAK4
SCHEMBL4285138 0.82 MAPT (0.41) SMN1; SMN2GRM4MAPTPOLBIRAK4
SCHEMBL4283174 0.82 MAPT (0.45) SMN1; SMN2GRM4MAPTPOLBIRAK4
SCHEMBL4285703 0.81 MAPT (0.43) SMN1; SMN2GRM4MAPTPOLBIRAK4
SCHEMBL4285697 0.81 POLB (0.48) SMN1; SMN2GRM4MAPTPOLBIRAK4
SCHEMBL4292686 0.80 CNR2 (0.43) SMN1; SMN2GRM4MAPTPOLBIRAK4
SCHEMBL4287113 0.79 MAPT (0.43) SMN1; SMN2GRM4MAPTPOLBIRAK4
SCHEMBL4292257 0.79 MAPT (0.38) SMN1; SMN2GRM4MAPTPOLBIRAK4

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 SMN1; SMN2 4064/4885GRM4 4042/4885MAPT 868/4885

“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.