SCHEMBL5550820

SCHEMBL5550820

Cc1cnc2c(C(=O)O)cccn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.47
HSD17B10 Q99714 2/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
MYC P01106 2/20 0.44
MKNK1 Q9BUB5 1/20 0.42
NR4A1 P22736 1/20 0.41
LDHA P00338 1/20 0.41
ALDH1A1 P00352 6/20 0.40
DHODH Q02127 2/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
HDAC8 Q9BY41 1/20 0.39
ALOX15 P16050 2/20 0.38
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL13035340 0.80 KDM4E (0.47) KDM4EHSD17B10CASP1CASP7MYC
SCHEMBL14836815 0.80 KDM4E (0.47) KDM4EHSD17B10CASP1CASP7MKNK1
SCHEMBL9090176 0.80 KDM4E (0.47) KDM4EHSD17B10CASP1CASP7MKNK1
SCHEMBL4191287 0.78 KDM4E (0.44) KDM4EHSD17B10CASP1CASP7MKNK1
SCHEMBL20294410 0.78 KDM4E (0.44) KDM4EHSD17B10CASP1CASP7MKNK1
SCHEMBL8193516 0.77 SMN1; SMN2 (0.46) KDM4EHSD17B10ALDH1A1GAATDP1
SCHEMBL9218762 0.75 KDM4E (0.43) KDM4EHSD17B10CASP1CASP7MYC
SCHEMBL17729459 0.75 MYC (0.41) KDM4EHSD17B10CASP1CASP7MYC
SCHEMBL7883850 0.75 KDM4E (0.48) KDM4EHSD17B10CASP1CASP7MYC
SCHEMBL19554105 0.75 MYC (0.45) KDM4EMYCNR4A1ALDH1A1GAA

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
EP-1651640-B1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LTD (GB) 2007-02-14 EP disclosed
US-20060178408-A1 Nicotinamide derivatives useful as pde4 inhibitors BARBER CHRISTOPHER G 2006-08-10 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-20060178408-A1 Nicotinamide derivatives useful as pde4 inhibitors PDE4A, PDE4B, PDE4C KDM4E 1010/4885HSD17B10 513/4885CASP1 2596/4885

“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.