SCHEMBL3612465

SCHEMBL3612465

CC(=O)Nc1nc(OC2CCOCC2)c2nc(Cl)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.48
NTRK1 P04629 1/20 0.48
FLT3 P36888 1/20 0.48
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
LRRK2 Q5S007 5/20 0.39
PIK3CA P42336 2/20 0.39
GRM4 Q14833 1/20 0.37
CLK1 P49759 2/20 0.36
CLK2 P49760 2/20 0.36
GRM5 P41594 3/20 0.36
KAT2B Q92831 1/20 0.36
BAZ2B Q9UIF8 1/20 0.36
RORC P51449 1/20 0.36
ACACB O00763 1/20 0.35
TTK P33981 2/20 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
SCHEMBL825700 0.95 MAPK8 (0.46) IRAK4NTRK1FLT3MAPK8MAPK9
SCHEMBL823740 0.95 MAPK8 (0.46) IRAK4NTRK1FLT3MAPK8MAPK9
SCHEMBL3607933 0.89 HDAC3 (0.39) IRAK4NTRK1FLT3MAPK8MAPK9
SCHEMBL3612994 0.81 GRM4 (0.47) GRM4GRM5
SCHEMBL4573635 0.77 DHFR (0.40) IRAK4NTRK1FLT3LRRK2PIK3CA
SCHEMBL3617502 0.76 TSHR (0.44) GRM4GRM5ACACB
SCHEMBL3609937 0.76 ACACB (0.43) IRAK4GRM4GRM5ACACB
SCHEMBL823611 0.76 RORC (0.39) MAPK8MAPK9PIK3CARORC
SCHEMBL4119354 0.76 MAPK8 (0.40) MAPK8MAPK9RORC
SCHEMBL3931130 0.74 PIK3CA (0.53) PIK3CA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637531-B2 Pyrido(3,2-d)pyridmidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-01-28 US claimed
US-20100048559-A1 PYRIDO(3,2-d)PYRIDMIDINES USEFUL FOR TREATING VIRAL INFECTIONS Gilead Science, Inc (US) 2010-02-25 US claimed
WO-2008077650-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO claimed
US-8637531-B2 Pyrido(3,2-d)pyridmidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-01-28 US disclosed
US-20100048559-A1 PYRIDO(3,2-d)PYRIDMIDINES USEFUL FOR TREATING VIRAL INFECTIONS Gilead Science, Inc (US) 2010-02-25 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-20100048559-A1 PYRIDO(3,2-d)PYRIDMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, PLPBP, PDXK IRAK4 1729/4885NTRK1 2427/4885FLT3 838/4885

“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.