Denopterin

Denopterin

SCHEMBL5886040

CC(c1cnc2nc(N)nc(O)c2n1)N(C)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1.CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1

nearest known ligand 0.80

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

DHFR

The experimentally established mechanism targets of Denopterin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR known ✓ P00374 3/20 0.80
FPGS Q05932 3/20 0.80
KDM4E B2RXH2 1/20 0.80
TLR4 O00206 1/20 0.80
MEN1 O00255 1/20 0.80
ALDH1A1 P00352 1/20 0.80
LMNA P02545 1/20 0.80
TP53 P04637 1/20 0.80
TYMS P04818 1/20 0.80
GLA P06280 1/20 0.80
POLB P06746 1/20 0.80
HMGB1 P09429 1/20 0.80
MAPT P10636 1/20 0.80
FOLR2 P14207 1/20 0.80
FOLR1 P15328 1/20 0.80
HPGD P15428 1/20 0.80
ALOX15 P16050 1/20 0.80
ALOX12 P18054 1/20 0.80
GART P22102 1/20 0.80
APEX1 P27695 1/20 0.80

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
Methotrexate SCHEMBL9736207 0.93 DHFR (0.92) FPGSDHFRKDM4ETLR4MEN1
Denopterin SCHEMBL9294 0.91 DHFR (0.62) FPGSDHFRKDM4ETLR4MEN1
Adenopterin SCHEMBL19209756 0.90 DHFR (0.73) FPGSDHFRKDM4ETLR4MEN1
Methopterine SCHEMBL6907131 0.90 FPGS (0.86) FPGSDHFRKDM4ETLR4MEN1
Adenopterin SCHEMBL19209757 0.90 DHFR (0.73) FPGSDHFRKDM4ETLR4MEN1
Adenopterin SCHEMBL29499685 0.90 DHFR (0.73) FPGSDHFRKDM4ETLR4MEN1
Methopterine SCHEMBL159228 0.90 FPGS (0.86) FPGSDHFRKDM4ETLR4MEN1
Methopterine SCHEMBL10658766 0.89 FPGS (0.84) FPGSDHFRKDM4ETLR4MEN1
Methotrexate SCHEMBL171251 0.89 DHFR (1.00) FPGSDHFRKDM4ETLR4MEN1
Methotrexate SCHEMBL16013534 0.89 DHFR (1.00) FPGSDHFRKDM4ETLR4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190144446-A1 FUSED TRICYCLIC UREA COMPOUNDS AS RAF KINASE AND/OR RAF KINASE DIMER INHIBITORS BEONE MEDICINES I GMBH (CH) 2019-05-16 US disclosed
US-7026360-B1 Pharmaceutical compositions containing compounds with activity for the enhancement of absorption of active ingredients INPHARMA S.A. (CH) 2006-04-11 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-20190144446-A1 FUSED TRICYCLIC UREA COMPOUNDS AS RAF KINASE AND/OR RAF KINASE DIMER INHIBITORS BRAF, RAF1, ARAF DHFR 414/4885FPGS 975/4885KDM4E 2914/4885

“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.