SCHEMBL6704517

SCHEMBL6704517

COC(=O)CCCc1nc(N)nc(N)c1-c1cccc(Cl)c1.COc1ccc(CCCc2nc(N)nc(N)c2-c2cccc(Cl)c2)cc1.Nc1nc(N)c(-c2cccc(Cl)c2)c(CCCc2ccccc2)n1.Nc1nc(N)c(-c2cccc(Cl)c2)c(CCOCCCOc2ccccc2)n1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 11/20 0.59

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
SCHEMBL4846178 0.82 DHFR (0.82) DHFR
SCHEMBL4845865 0.82 DHFR (0.63) DHFR
SCHEMBL4847876 0.82 DHFR (0.64) DHFR
SCHEMBL4838316 0.76 DHFR (0.71) DHFR
SCHEMBL4841496 0.74 DHFR (0.61) DHFR
SCHEMBL6703985 0.74 DHFR (0.67) DHFR
SCHEMBL29913394 0.72 DHFR (0.64) DHFR
SCHEMBL6280112 0.69 GHSR (0.77) DHFR
SCHEMBL31404403 0.67 LTA4H (0.47) —
SCHEMBL14544256 0.66 FFAR1 (0.68) —

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-20040180913-A1 Antimalarial pyrimidine derivatives and methods of making and using them NATIONAL SCIENCE AND TECHNOLOGY DEVELOPMENT AGENCY (TH) 2004-09-16 — — US claimed

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-20040180913-A1 Antimalarial pyrimidine derivatives and methods of making and using them DHFR, TYMP, TYMS 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.

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