SCHEMBL4421606

SCHEMBL4421606

NC(=O)c1ccc(-c2ccc3nc(N)nc(OC4CCOC4)c3n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 8/20 0.40
MTOR P42345 1/20 0.38
MAP4K4 O95819 1/20 0.36
DYRK1A Q13627 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
TYK2 P29597 2/20 0.36
ATXN2 Q99700 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
PDE4D Q08499 3/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
GRM4 Q14833 1/20 0.35

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
SCHEMBL4421609 0.87 MTOR (0.38) MTORMAP4K4MAPK8MAPK9GRM4
SCHEMBL3612167 0.86 CHEK2 (0.37) CHEK2MTORDYRK1AATXN2TBK1
SCHEMBL13500401 0.85 HDAC1 (0.39) MTORMAP4K4GRM4
SCHEMBL3605007 0.85 HDAC1 (0.39) MTORMAP4K4GRM4
SCHEMBL3609814 0.85 HDAC1 (0.39) MTORMAP4K4GRM4
SCHEMBL4423835 0.85 MAPK1 (0.46) MTORMAPK8MAPK9TYK2GRM4
SCHEMBL826424 0.84 MTOR (0.37) MTORMAPK8MAPK9GRM4
SCHEMBL823687 0.84 MTOR (0.37) MTORMAPK8MAPK9GRM4
SCHEMBL825714 0.82 GRM4 (0.38) MTORMAPK8MAPK9PDE4DPDE4A
SCHEMBL823736 0.82 MOK (0.39) MTORMAPK8MAPK9PDE4DPDE4A

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-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC (US) 2009-12-31 US claimed
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 CHEK2 1401/4885MTOR 4090/4885MAP4K4 2930/4885

“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.