SCHEMBL13640723

SCHEMBL13640723

Cc1nc(N)c2nc(CN(C)c3cccc(C(=O)O)c3)cnc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 10/20 0.48
SLC19A1 P41440 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TLR4 O00206 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
TYMS P04818 1/20 0.47
GLA P06280 1/20 0.47
POLB P06746 1/20 0.47
HMGB1 P09429 1/20 0.47
MAPT P10636 1/20 0.47
FOLR2 P14207 1/20 0.47
FOLR1 P15328 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
GART P22102 1/20 0.47
APEX1 P27695 1/20 0.47

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
SCHEMBL13187185 0.91 DHFR (0.59) DHFRSLC19A1KDM4ETLR4MEN1
SCHEMBL10379252 0.87 DHFR (0.59) DHFRSLC19A1KDM4ETLR4MEN1
SCHEMBL13186954 0.82 DHFR (0.59) DHFRSLC19A1KDM4ETLR4MEN1
SCHEMBL480317 0.82 DHFR (0.59) DHFRSLC19A1KDM4ETLR4MEN1
SCHEMBL18250751 0.81 DHFR (0.59) DHFRSLC19A1KDM4ETLR4MEN1
SCHEMBL221621 0.78 DHFR (0.71) DHFRSLC19A1KDM4ETLR4MEN1
SCHEMBL29658170 0.78 DHFR (0.71) DHFRSLC19A1KDM4ETLR4MEN1
Hydrochloric Acid SCHEMBL1230259 0.77 DHFR (0.70) DHFRSLC19A1KDM4ETLR4MEN1
Hydrochloric Acid SCHEMBL3171572 0.76 DHFR (0.69) DHFRSLC19A1KDM4ETLR4MEN1
SCHEMBL13187514 0.75 DHFR (0.53) DHFRSLC19A1KDM4ETLR4MEN1

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 19/4885SLC19A1 1532/4885KDM4E 3886/4885

“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.