SCHEMBL6744549

SCHEMBL6744549

COc1cc(OC)cc(C(=O)OCc2ccc3nc(N)nc(N)c3c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHFR P00374 4/20 0.56

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
SCHEMBL6747580 0.87 DHFR (0.54) DHFR
SCHEMBL6751096 0.86 DHFR (0.57) DHFR
SCHEMBL6745912 0.84 DHFR (0.59) DHFR
SCHEMBL6747492 0.83 DHFR (0.51) DHFR
SCHEMBL6748545 0.82 DHFR (0.58) DHFR
SCHEMBL6747511 0.81 DHFR (0.64) DHFR
SCHEMBL6744621 0.80 DHFR (0.56) DHFR
SCHEMBL6748581 0.80 DHFR (0.61) DHFR
SCHEMBL6745924 0.79 DHFR (0.57) DHFR
SCHEMBL6744375 0.79 DHFR (0.55) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092515-A1 Diaminoquinazoline esters for use as dihydrofolate reductase inhibitors MELACURE THERAPEUTICS AB (SE) 2004-05-13 US disclosed
EP-1366028-A1 DIAMINOQUINAZOLINE ESTERS FOR USE AS DIHYDROFOLATE REDUCTASE INHIBITORS Melacure Therapeutics AB (SE) 2003-12-03 EP disclosed
WO-2002068397-A1 DIAMINOQUINAZOLINE ESTERS FOR USE AS DIHYDROFOLATE REDUCTADE INHIBITORS MELACURE THERAPEUTICS AB (SE) 2002-09-06 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-20040092515-A1 Diaminoquinazoline esters for use as dihydrofolate reductase inhibitors DHFR, DPYD, DHODH DHFR 1/4885

“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.