SCHEMBL5425893

SCHEMBL5425893

COc1cc(CCNc2nc3nc(N)nc(N)c3c(C)c2Cc2ccccc2)cc(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHFR P00374 5/20 0.51
SLC2A1 P11166 1/20 0.48
ALDH1A1 P00352 1/20 0.43
CYP2D6 P10635 1/20 0.43
ATM Q13315 1/20 0.43
TLR8 Q9NR97 1/20 0.43
APP P05067 1/20 0.42

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
SCHEMBL5425876 0.78 DHFR (0.52) DHFRALDH1A1CYP2D6ATM
SCHEMBL14520696 0.75 SLC2A1 (0.45) DHFRSLC2A1TLR8APP
SCHEMBL5434583 0.71 DHFR (0.47) DHFRSLC2A1CYP2D6
SCHEMBL10645923 0.65 DHFR (0.55) DHFR
SCHEMBL11012896 0.65 DHFR (0.49) DHFRALDH1A1
SCHEMBL28201802 0.65 CYP2D6 (0.59) ALDH1A1CYP2D6ATM
SCHEMBL4943905 0.64 DHFR (0.78) DHFR
SCHEMBL10649711 0.64 DHFR (0.55) DHFR
SCHEMBL4942378 0.63 DHFR (0.48) DHFR
SCHEMBL3698261 0.63 TLR7 (0.74) DHFRTLR8

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-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 171/4885SLC2A1 4692/4885ALDH1A1 361/4885

“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.