SCHEMBL478791

SCHEMBL478791

CN(c1ccc(C(N)C(=O)O)cc1)c1cnc2c(N)nc(N)nc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 13/20 0.42
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
PIK3CG P48736 2/20 0.38
KDM4E B2RXH2 1/20 0.37
TLR4 O00206 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
TYMS P04818 1/20 0.37
GLA P06280 1/20 0.37
POLB P06746 1/20 0.37
HMGB1 P09429 1/20 0.37
FOLR2 P14207 1/20 0.37
FOLR1 P15328 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
GART P22102 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
SCHEMBL479193 0.91 DHFR (0.45) DHFRMEN1ALDH1A1MAPTKMT2A
SCHEMBL22451824 0.76 DHFR (0.57) DHFRMEN1ALDH1A1MAPTKMT2A
SCHEMBL22451750 0.76 DHFR (0.68) DHFRMEN1ALDH1A1MAPTKMT2A
Water SCHEMBL9320891 0.74 DHFR (0.49) DHFRMEN1ALDH1A1MAPTKMT2A
SCHEMBL478789 0.72 DHFR (0.57) DHFRSLC19A1
SCHEMBL479157 0.72 DHFR (0.45) DHFRMEN1ALDH1A1MAPTKMT2A
SCHEMBL480784 0.70 DHFR (0.42) DHFRMEN1ALDH1A1MAPTKMT2A
SCHEMBL480783 0.70 DHFR (0.42) DHFRMEN1ALDH1A1MAPTKMT2A
SCHEMBL11633098 0.70 DHFR (0.43) DHFRMEN1ALDH1A1MAPTKMT2A
SCHEMBL479287 0.69 HDAC4 (0.48) DHFRMEN1ALDH1A1MAPTKMT2A

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 DHFR 19/4885MEN1 2967/4885ALDH1A1 3124/4885

“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.