SCHEMBL6306567

SCHEMBL6306567

CN(Cc1coc2nc(N)nc(N)c12)c1cc(Cl)c(Cl)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 2/20 0.43

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
SCHEMBL6304699 0.88 — —
SCHEMBL6390075 0.79 DHFR (0.44) DHFR
SCHEMBL2915133 0.71 DHFR (0.46) DHFR
SCHEMBL6312118 0.71 DHFR (0.66) DHFR
SCHEMBL5861670 0.70 — —
SCHEMBL13833594 0.69 DHFR (0.47) DHFR
SCHEMBL13833595 0.68 DHFR (0.46) DHFR
SCHEMBL6311630 0.65 DHFR (0.58) DHFR
SCHEMBL6310645 0.60 DHFR (0.47) DHFR
SCHEMBL6312122 0.59 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6962920-B2 Pyrimidine derivatives and methods of making and using these derivatives DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2005-11-08 — — US disclosed
US-20040039000-A1 Novel pyrimidine derivatives and methods of making and using these derivatives GANGJEE ALEEM (US) 2004-02-26 — — US disclosed
US-6537999-B2 Furopyrimidines and pyrrolopyrimidines; treating cancer, and secondary infections caused by Pneumocystis carinii and Toxoplasmosis gondii in immunocompromised patients. DUQUESNE UNIVERSITY OF THE HOLY GHOST 2003-03-25 — — US disclosed
US-20020052384-A1 Novel pyrimidine derivatives and methods of making and using these derivatives GANGJEE ALEEM (US) 2002-05-02 — — 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 (2 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-20040039000-A1 Novel pyrimidine derivatives and methods of making and using these derivatives TYMP, TYMS, DPYD DHFR 11/4885
US-20020052384-A1 Novel pyrimidine derivatives and methods of making and using these derivatives TYMP, TYMS, DPYD DHFR 11/4885

“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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