SCHEMBL3598713

SCHEMBL3598713

CC[C@H](OC)Oc1nc(NC(C)=O)nc2ccc(Cl)nc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
MAPT P10636 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ACHE P22303 4/20 0.33
APP P05067 2/20 0.33
NPSR1 Q6W5P4 1/20 0.32
ADORA3 P0DMS8 3/20 0.32
TSHR P16473 1/20 0.31
ADORA1 P30542 1/20 0.31
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
DYRK1A Q13627 1/20 0.30
FSCN1 Q16658 1/20 0.30
POLB P06746 2/20 0.30
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL3607975 1.00 CYP1A2 (0.35) CYP1A2ALDH1A1MEN1KMT2AMAPT
SCHEMBL4113311 0.87 ADORA3 (0.37) CYP1A2ALDH1A1MEN1KMT2AMAPT
SCHEMBL823611 0.84 RORC (0.39) CYP1A2ALDH1A1MEN1KMT2AMAPT
SCHEMBL3598709 0.83 MEN1 (0.36) CYP1A2ALDH1A1MEN1KMT2AMAPT
SCHEMBL3607971 0.83 MEN1 (0.36) CYP1A2ALDH1A1MEN1KMT2AMAPT
SCHEMBL4119354 0.82 MAPK8 (0.40) CYP1A2ALDH1A1MEN1KMT2AMAPT
SCHEMBL4113077 0.80 MAPK8 (0.39) CYP1A2ALDH1A1MEN1KMT2AACHE
SCHEMBL4114488 0.79 MAPK8 (0.40) CYP1A2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL4517525 0.79 CYP1A2 (0.37) CYP1A2ALDH1A1MEN1KMT2AMAPT
SCHEMBL4114159 0.79 PRKD3 (0.40) CYP1A2ALDH1A1MEN1KMT2AMAPT

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 3 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

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 CYP1A2 21/4885ALDH1A1 1288/4885MEN1 1881/4885

“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.