SCHEMBL825700

SCHEMBL825700

CC(=O)Nc1nc(OC2CCOC2)c2nc(Cl)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.46
MAPK9 P45984 1/20 0.46
IRAK4 Q9NWZ3 2/20 0.43
NTRK1 P04629 1/20 0.43
FLT3 P36888 1/20 0.43
GRM5 P41594 6/20 0.38
FGFR4 P22455 1/20 0.38
GRM4 Q14833 2/20 0.36
ACACB O00763 3/20 0.36
PDE10A Q9Y233 1/20 0.36
LRRK2 Q5S007 2/20 0.36

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
SCHEMBL823740 1.00 MAPK8 (0.46) MAPK8MAPK9IRAK4NTRK1FLT3
SCHEMBL3612465 0.95 IRAK4 (0.48) MAPK8MAPK9IRAK4NTRK1FLT3
SCHEMBL3607933 0.86 HDAC3 (0.39) MAPK8MAPK9IRAK4NTRK1FLT3
SCHEMBL3612994 0.82 GRM4 (0.47) GRM5GRM4
SCHEMBL823779 0.78 LRRK2 (0.38) MAPK8MAPK9IRAK4NTRK1FLT3
SCHEMBL825987 0.78 LRRK2 (0.38) MAPK8MAPK9IRAK4NTRK1FLT3
SCHEMBL3617502 0.76 TSHR (0.44) GRM5GRM4ACACB
SCHEMBL3609937 0.75 ACACB (0.43) IRAK4GRM5GRM4ACACB
SCHEMBL823611 0.75 RORC (0.39) MAPK8MAPK9
SCHEMBL4119354 0.75 MAPK8 (0.40) MAPK8MAPK9

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 MAPK8 3434/4885MAPK9 3997/4885IRAK4 2776/4885

“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.