SCHEMBL13640728

SCHEMBL13640728

COC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1OCC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 10/20 0.52
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
SLC19A1 P41440 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TLR4 O00206 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
TYMS P04818 1/20 0.49
GLA P06280 1/20 0.49
POLB P06746 1/20 0.49
HMGB1 P09429 1/20 0.49
MAPT P10636 1/20 0.49
FOLR2 P14207 1/20 0.49
FOLR1 P15328 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL13186877 0.93 DHFR (0.52) DHFRHDAC4HDAC7HDAC9HDAC5
SCHEMBL13640714 0.81 DHFR (0.53) DHFRHDAC4HDAC7HDAC9HDAC5
SCHEMBL479018 0.79 DHFR (0.40) DHFR
SCHEMBL11913611 0.76 DHFR (0.71) DHFRHDAC4HDAC7HDAC9HDAC5
SCHEMBL3179385 0.75 HDAC4 (0.60) DHFRHDAC4HDAC7HDAC9HDAC5
SCHEMBL479220 0.75 DHFR (0.54) DHFRCA1CA2CA9
SCHEMBL13186954 0.75 DHFR (0.59) DHFRHDAC4HDAC7HDAC9HDAC5
SCHEMBL13985918 0.74 DHFR (0.71) DHFRHDAC4HDAC7HDAC9HDAC5
SCHEMBL221621 0.74 DHFR (0.71) DHFRHDAC4HDAC7HDAC9HDAC5
SCHEMBL3181815 0.73 HDAC4 (0.54) DHFRHDAC4HDAC7HDAC9HDAC5

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-20120283219-A1 DIAMINOPTERIDINE DERIVATIVES BIORELIX, INC. 2012-11-08 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-20120283219-A1 DIAMINOPTERIDINE DERIVATIVES MPO, AOC1, DCTD DHFR 19/4885HDAC4 2319/4885HDAC7 1983/4885

“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.