SCHEMBL5476982

SCHEMBL5476982

Nc1nc(N)c2c(/C=C/c3ccc4ccccc4c3)coc2n1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 10/20 0.49
▸ KDR P35968 4/20 0.49
▸ PDGFRB P09619 2/20 0.46
▸ RELA Q04206 1/20 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
SCHEMBL5476985 1.00 DHFR (0.49) DHFRKDRPDGFRBRELA
SCHEMBL14401114 0.76 DHFR (0.65) DHFRKDRPDGFRB
SCHEMBL14401113 0.76 DHFR (0.65) DHFRKDRPDGFRB
SCHEMBL6311125 0.71 DHFR (0.47) DHFRKDR
SCHEMBL6312122 0.68 — —
SCHEMBL5552166 0.68 RELA (0.86) RELA
SCHEMBL29842519 0.68 RELA (0.86) RELA
SCHEMBL5050698 0.68 RELA (0.86) RELA
SCHEMBL5050695 0.68 RELA (0.86) RELA
SCHEMBL5552162 0.68 RELA (0.86) RELA

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-20070238742-A1 METHODS OF PREPARATION AND RESOLUTION OF E/Z ISOMERS OF VINYLFURO[2,3-D]PYRIMIDINE AND THEIR BIOLOGICAL ACTIVITIES AND RELATED COMPOSITIONS AND METHODS OF TREATMENT NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-10-11 — — 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-20070238742-A1 METHODS OF PREPARATION AND RESOLUTION OF E/Z ISOMERS OF VINYLFURO[2,3-D]PYRIMIDINE AND THEIR BIOLOGICAL ACTIVITIES AND RELATED COMPOSITIONS AND METHODS OF TREATMENT FOLR2, FOLR1, DHFR DHFR 3/4885KDR 6/4885PDGFRB 108/4885

“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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