SCHEMBL480956

SCHEMBL480956

CN(c1ccc(C(=O)O)c(O)c1)c1cnc2nc(N)nc(N)c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 3/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP1A2 P05177 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
DHFR P00374 10/20 0.42
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TLR4 O00206 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
TYMS P04818 1/20 0.39
GLA P06280 1/20 0.39
POLB P06746 1/20 0.39
HMGB1 P09429 1/20 0.39

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
SCHEMBL479322 0.84 DHFR (0.40) HPGDHSD17B10DHFRKDM4ETLR4
Water SCHEMBL9320891 0.82 DHFR (0.49) HPGDHSD17B10DHFRKDM4ETLR4
SCHEMBL479180 0.81 DHFR (0.48) PIK3CGHPGDHSD17B10DHFRPIK3CA
SCHEMBL479208 0.79 DHFR (0.45) PIK3CGDHFRPIK3CAPIK3CBHDAC6
SCHEMBL479157 0.78 DHFR (0.45) HPGDHSD17B10DHFRKDM4ETLR4
SCHEMBL479193 0.77 DHFR (0.45) HPGDHSD17B10DHFRKDM4ETLR4
SCHEMBL480783 0.76 DHFR (0.42) HPGDHSD17B10DHFRKDM4ETLR4
SCHEMBL480784 0.76 DHFR (0.42) HPGDHSD17B10DHFRKDM4ETLR4
SCHEMBL11633098 0.76 DHFR (0.43) HPGDHSD17B10DHFRKDM4ETLR4
SCHEMBL479018 0.76 DHFR (0.40) DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283219-A1 DIAMINOPTERIDINE DERIVATIVES BIORELIX, INC. 2012-11-08 US disclosed
EP-2410856-A1 DIAMINOPTERIDINE DERIVATIVES Biorelix, Inc. (US) 2012-02-01 EP disclosed
WO-2010110907-A1 DIAMINOPTERIDINE DERIVATIVES BIORELIX, INC. (US) 2010-09-30 WO 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 PIK3CG 3127/4885HPGD 1245/4885HSD17B10 4197/4885

“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.