SCHEMBL3434673

SCHEMBL3434673

Nc1nc(N)c2nc(CCNc3ccc(C(=O)O)cc3)cnc2n1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHFR P00374 9/20 0.65
CA1 P00915 4/20 0.55
CA2 P00918 4/20 0.55
CA9 Q16790 2/20 0.55

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
SCHEMBL14417311 0.88 DHFR (0.81) DHFRCA1CA2CA9
SCHEMBL28985427 0.87 DHFR (0.80) DHFRCA1CA2CA9
SCHEMBL24344752 0.83 DHFR (0.65) DHFRCA1CA2CA9
SCHEMBL864864 0.82 DHFR (0.79) DHFR
SCHEMBL1021371 0.82 DHFR (0.79) DHFR
SCHEMBL30097334 0.81 DHFR (0.48) DHFRCA1CA2CA9
SCHEMBL7242682 0.80 DHFR (0.54) DHFRCA1CA2
Pteroic Acid SCHEMBL245982 0.79 DHFR (0.67) DHFRCA1CA2CA9
SCHEMBL11633634 0.79 DHFR (0.78) DHFRCA1CA2CA9
SCHEMBL11629266 0.79 DHFR (0.65) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799524-B2 Substrates for O6-alkylguanina-DNA alkyltransferase Ecole Polytechnique Ferdeale de Lausanne (CH) 2010-09-21 US disclosed
US-20060024775-A1 Substrates for o6-alkylguanina-dna alkyltransferase ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL). (CH) 2006-02-02 US disclosed
EP-1546371-A1 SUBSTRATES FOR O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2005-06-29 EP disclosed
WO-2004031405-A1 SUBSTRATES FOR O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2004-04-15 WO disclosed
EP-1135390-A1 METHOTREXATE DERIVATIVES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2001-09-26 EP disclosed
US-6291673-B1 Folic acid derivatives PURDUE RESEARCH FOUNDATION 2001-09-18 US disclosed
WO-2000034281-A1 METHOTREXATE DERIVATIVES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2000-06-15 WO disclosed
US-4079056-A REACTING 2,4-DIAMINO-6-PTERIDINE-METHANOL-HBR WITH TRIPHENYLPHOSPHINE DIBROMIDE OR PHOSPHORUS TRIBROMIDE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1978-03-14 US disclosed
US-4077957-A INTERMEDIATE FOR METHOTREXATE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1978-03-07 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-20060024775-A1 Substrates for o6-alkylguanina-dna alkyltransferase AGT, OGG1, NUDT1 DHFR 518/4885CA1 4554/4885CA2 3802/4885

“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.