SCHEMBL4423840

SCHEMBL4423840

Nc1nc(OC2CCOC2)c2nc(-c3ccc(N)c(F)c3)ccc2n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
PIK3CA P42336 4/20 0.35
GRM4 Q14833 3/20 0.35
MTOR P42345 2/20 0.35
AKT1 P31749 1/20 0.35
MAP4K4 O95819 5/20 0.35
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
LRRK2 Q5S007 2/20 0.32

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
SCHEMBL3609814 0.88 HDAC1 (0.39) ALOX5APFEN1PIK3CAGRM4MTOR
SCHEMBL3605007 0.88 HDAC1 (0.39) ALOX5APFEN1PIK3CAGRM4MTOR
SCHEMBL13500401 0.88 HDAC1 (0.39) ALOX5APFEN1PIK3CAGRM4MTOR
SCHEMBL4423835 0.87 MAPK1 (0.46) ALOX5APFEN1PIK3CAGRM4MTOR
SCHEMBL4421609 0.85 MTOR (0.38) PIK3CAGRM4MTORAKT1MAP4K4
SCHEMBL825938 0.82 PIK3CA (0.37) PIK3CAGRM4MTORMAP4K4MAPK8
SCHEMBL823650 0.82 PIK3CA (0.37) PIK3CAGRM4MTORMAP4K4MAPK8
SCHEMBL3612774 0.81 HDAC1 (0.43) ALOX5APFEN1PIK3CAMAP4K4HDAC1
SCHEMBL4421606 0.80 CHEK2 (0.40) GRM4MTORMAP4K4MAPK8MAPK9
SCHEMBL825985 0.80 HDAC1 (0.36) PIK3CAGRM4MTORMAPK8MAPK9

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 ALOX5AP 1388/4885FEN1 568/4885PIK3CA 1189/4885

“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.