SCHEMBL845973

SCHEMBL845973

Nc1nc(N2CCS(=O)(=O)CC2)c2nc(Nc3ccccc3)ccc2n1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHFR P00374 14/20 0.56
HRH4 Q9H3N8 3/20 0.41
PI4KB Q9UBF8 1/20 0.38

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
SCHEMBL823672 0.77 HRH4 (0.44) HRH4
SCHEMBL4513924 0.71 HRH4 (0.42) HRH4
SCHEMBL823641 0.70 PDE4A (0.52) HRH4PI4KB
SCHEMBL823782 0.69 PDE4A (0.55) HRH4PI4KB
SCHEMBL823679 0.68 PDE4A (0.50) HRH4PI4KB
SCHEMBL823729 0.68 PDE4A (0.50) HRH4PI4KB
SCHEMBL823684 0.66 MKNK1 (0.51)
SCHEMBL845983 0.65 DHFR (0.64) DHFR
SCHEMBL845207 0.65 DHFR (0.64) DHFR
SCHEMBL845754 0.65 DHFR (0.64) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143394-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2012-03-27 US disclosed
US-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC (US) 2009-12-31 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-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PLPBP DHFR 32/4885HRH4 1956/4885PI4KB 1526/4885

“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.