SCHEMBL4423835

SCHEMBL4423835

NC(=O)c1ccc(-c2ccc3nc(N)nc(OC4CCOC4)c3n2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
MTOR P42345 3/20 0.43
TYK2 P29597 2/20 0.38
LRRK2 Q5S007 1/20 0.36
PIK3CA P42336 3/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
GRM4 Q14833 2/20 0.36
FFAR4 Q5NUL3 1/20 0.36
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
JAK2 O60674 2/20 0.35
KCNH2 Q12809 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34

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
SCHEMBL4423840 0.87 ALOX5AP (0.38) MTORLRRK2PIK3CAPIK3CDPIK3CB
SCHEMBL4421606 0.85 CHEK2 (0.40) MTORTYK2GRM4MAPK8MAPK9
SCHEMBL3605007 0.83 HDAC1 (0.39) MTORLRRK2PIK3CAPIK3CDPIK3CB
SCHEMBL3609814 0.83 HDAC1 (0.39) MTORLRRK2PIK3CAPIK3CDPIK3CB
SCHEMBL13500401 0.83 HDAC1 (0.39) MTORLRRK2PIK3CAPIK3CDPIK3CB
SCHEMBL823650 0.82 PIK3CA (0.37) MAPK1MTORPIK3CAPIK3CDPIK3CB
SCHEMBL825938 0.82 PIK3CA (0.37) MAPK1MTORPIK3CAPIK3CDPIK3CB
SCHEMBL4421609 0.81 MTOR (0.38) MTORLRRK2PIK3CAGRM4MAPK8
SCHEMBL825985 0.80 HDAC1 (0.36) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL823702 0.80 HDAC1 (0.36) MTORPIK3CAPIK3CDPIK3CBPIK3CG

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 MAPK1 4173/4885MTOR 4090/4885TYK2 1186/4885

“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.