SCHEMBL14520698

SCHEMBL14520698

CCCCc1c(NCc2ccc(F)c(F)c2)nc2nc(N)nc(N)c2c1C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHFR P00374 13/20 0.43
PLK4 O00444 1/20 0.39
TLR7 Q9NYK1 2/20 0.38
SLC2A1 P11166 1/20 0.37
CHRM4 P08173 1/20 0.37
NTRK1 P04629 1/20 0.37
TLR8 Q9NR97 1/20 0.37
GPR68 Q15743 1/20 0.36

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
SCHEMBL14520696 0.84 SLC2A1 (0.45) DHFRPLK4SLC2A1NTRK1TLR8
SCHEMBL14520699 0.78 DHFR (0.42) DHFRPLK4GPR68
SCHEMBL14520726 0.75 GPR68 (0.40) DHFRPLK4GPR68
SCHEMBL14818977 0.66 MEN1 (0.58) PLK4NTRK1TLR8GPR68
SCHEMBL4228985 0.66 PLK4 (0.41) PLK4CHRM4NTRK1GPR68
SCHEMBL14520706 0.65 DHFR (0.41) DHFR
SCHEMBL14520703 0.64 MEN1 (0.49) DHFRPLK4CHRM4
SCHEMBL19121747 0.63 SKP2 (0.50)
SCHEMBL14520701 0.63 DHFR (0.43) DHFR
SCHEMBL14804663 0.61 SMN1; SMN2 (0.47) GPR68

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-20070082920-A1 NAD+-dependent DNA ligase inhibitors Ricerca Biosciences, LLC 2007-04-12 US disclosed
US-20070082920-A1 NAD+-dependent DNA ligase inhibitors Ricerca Biosciences, LLC 2007-04-12 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-20070082920-A1 NAD+-dependent DNA ligase inhibitors LIG3, LIG1, NQO1 DHFR 171/4885PLK4 2322/4885TLR7 2267/4885

“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.