SCHEMBL825987

SCHEMBL825987

Nc1nc(OC2CCOC2)c2nc(Cl)ccc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.38
FFAR2 O15552 2/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
PDE2A O00408 2/20 0.36
PDE10A Q9Y233 2/20 0.36
DCPS Q96C86 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
KCNH2 Q12809 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
DHFR P00374 1/20 0.34
GRM4 Q14833 4/20 0.34
AKT1 P31749 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
TYK2 P29597 2/20 0.33
NTRK1 P04629 1/20 0.33

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
SCHEMBL823779 1.00 LRRK2 (0.38) LRRK2FFAR2CNR1CNR2PDE2A
SCHEMBL4573635 0.92 DHFR (0.40) LRRK2FFAR2PDE2APDE10ADCPS
SCHEMBL4421609 0.81 MTOR (0.38) LRRK2FFAR2CNR1CNR2PDE2A
SCHEMBL4573490 0.80 MCHR1 (0.48) FFAR2CNR1CNR2DCPSDHFR
SCHEMBL3609814 0.79 HDAC1 (0.39) LRRK2FFAR2CNR1CNR2DHFR
SCHEMBL13500401 0.79 HDAC1 (0.39) LRRK2FFAR2CNR1CNR2DHFR
SCHEMBL3605007 0.79 HDAC1 (0.39) LRRK2FFAR2CNR1CNR2DHFR
SCHEMBL15695389 0.79 MAPK8 (0.41) LRRK2FFAR2CNR1CNR2MAPK8
SCHEMBL18838220 0.79 MAPK8 (0.41) LRRK2FFAR2CNR1CNR2MAPK8
SCHEMBL845183 0.78 DHFR (0.53) FFAR2DHFRGRM4IRAK4

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 LRRK2 1679/4885FFAR2 3608/4885CNR1 3006/4885

“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.