SCHEMBL5427457

SCHEMBL5427457

Nc1nc(=O)c2nc(CN(Cc3ccccc3)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 10/20 0.59
ATIC P31939 5/20 0.53
TYMS P04818 4/20 0.53
GART P22102 3/20 0.53
KDM4E B2RXH2 2/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 2/20 0.53
POLB P06746 2/20 0.53
HPGD P15428 2/20 0.53
KMT2A Q03164 2/20 0.53
HSD17B10 Q99714 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
GAA P10253 1/20 0.53
AKR1B1 P15121 1/20 0.53
TSHR P16473 1/20 0.53
PTGS2 P35354 1/20 0.53
TLR4 O00206 1/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
GLA P06280 1/20 0.53

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
SCHEMBL8768814 0.91 DHFR (0.61) DHFRATICTYMSGARTKDM4E
SCHEMBL28344203 0.91 DHFR (0.61) DHFRATICTYMSGARTKDM4E
SCHEMBL29003723 0.90 DHFR (0.60) DHFRATICTYMSGARTKDM4E
SCHEMBL16583122 0.89 DHFR (0.57) DHFRATICTYMSGARTKDM4E
SCHEMBL28273767 0.89 DHFR (0.59) DHFRATICTYMSGARTKDM4E
SCHEMBL3846647 0.89 DHFR (0.61) DHFRATICTYMSGARTKDM4E
SCHEMBL338037 0.88 DHFR (0.57) DHFRATICTYMSGARTKDM4E
SCHEMBL1250396 0.88 DHFR (0.62) DHFRATICTYMSGARTKDM4E
SCHEMBL25167471 0.88 DHFR (0.57) DHFRATICTYMSGARTKDM4E
SCHEMBL20486467 0.88 DHFR (0.57) DHFRATICTYMSGARTKDM4E

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-20070155752-A1 2-Amino-o4-substituted pteridines and their use as inactivators of o6-alkylguanine-dna alkyltransferase Government of the United States of America, 2007-07-05 US disclosed
EP-1701957-A1 2-AMINO-O4-SUBSTITUTED PTERIDINES AND THEIR USE AS INACTIVATORS OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, represented by THE DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2006-09-20 EP disclosed
WO-2005068465-A1 2-AMINO-O4-SUBSTITUTED PTERIDINES AND THEIR USE AS INACTIVATORS OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-07-28 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-20070155752-A1 2-Amino-o4-substituted pteridines and their use as inactivators of o6-alkylguanine-dna alkyltransferase DIMT1, DPYD, UNG DHFR 26/4885ATIC 32/4885TYMS 49/4885

“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.