SCHEMBL6304701

SCHEMBL6304701

Nc1nc(N)c2c(CSc3cccc4ccccc34)coc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 2/20 0.57
▸ KDR P35968 1/20 0.47

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
SCHEMBL6310645 0.81 DHFR (0.47) DHFRKDR
SCHEMBL6312122 0.79 — —
SCHEMBL6307851 0.76 DHFR (0.57) DHFR
SCHEMBL30956091 0.72 CYP1A2 (0.43) DHFR
SCHEMBL5861834 0.71 DHFR (0.46) DHFRKDR
SCHEMBL13833595 0.71 DHFR (0.46) DHFRKDR
SCHEMBL6390073 0.70 DHFR (0.51) DHFR
SCHEMBL13833594 0.69 DHFR (0.47) DHFRKDR
SCHEMBL2915133 0.68 DHFR (0.46) DHFRKDR
SCHEMBL5861670 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 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 11/4885KDR 4310/4885
US-20020052384-A1 Novel pyrimidine derivatives and methods of making and using these derivatives TYMP, TYMS, DPYD DHFR 11/4885KDR 4310/4885

“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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