SCHEMBL4558045

SCHEMBL4558045

Cn1cncc1CNC(=O)N1CCC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 5/20 0.44
MAPK1 P28482 2/20 0.43
CYP3A4 P08684 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PDE7B Q9NP56 1/20 0.39
KDM4E B2RXH2 1/20 0.37
CHRM5 P08912 1/20 0.36
ITK Q08881 2/20 0.36
PREP P48147 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SLC40A1 Q9NP59 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
SCHEMBL13733705 0.78 MAPK1 (0.42) GPR142MAPK1CYP3A4CHRM5ITK
SCHEMBL12256553 0.78 MAPK1 (0.45) GPR142MAPK1CYP3A4CHRM5ITK
SCHEMBL20671646 0.76 RECQL (0.42) GPR142MAPK1CYP3A4KMT2AMEN1
SCHEMBL22213802 0.75 GPR142 (0.40) GPR142MAPK1CYP3A4KMT2AMEN1
SCHEMBL16133689 0.74 MAPT (0.43) GPR142MAPK1CYP3A4KMT2AMEN1
SCHEMBL12017902 0.74 ERCC1 (0.40) GPR142MAPK1PDE7BCHRM5ITK
SCHEMBL3326375 0.70 HSD11B1 (0.63) KMT2AMEN1ALDH1A1
SCHEMBL31369367 0.69 AGTR1 (0.38) MAPK1CYP3A4KMT2AMEN1KDM4E
SCHEMBL16598143 0.69 SMN1; SMN2 (0.56) CYP3A4KMT2AMEN1KDM4EALDH1A1
SCHEMBL46652 0.68

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US 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-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B GPR142 3517/4885MAPK1 1550/4885CYP3A4 4694/4885

“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.