SCHEMBL1875477

SCHEMBL1875477

COc1cccc(-c2nc3c(C)cccc3cc2COc2ncnc(N)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 12/20 0.59
PIK3CG P48736 1/20 0.46
ADORA2A P29274 3/20 0.41
ADORA1 P30542 2/20 0.41
PDE10A Q9Y233 1/20 0.41
MAP4K4 O95819 1/20 0.40
HRH2 P25021 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
DHFR P00374 1/20 0.39
ADORA2B P29275 1/20 0.38

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
SCHEMBL1880629 0.88 PIK3CD (0.54) PIK3CDPIK3CGADORA2AADORA1PDE10A
SCHEMBL1880927 0.80 PIK3CD (0.41) PIK3CD
SCHEMBL1879180 0.77 PIK3CD (0.57) PIK3CDPIK3CGADORA2APDE10A
SCHEMBL1888178 0.76 PIK3CD (0.45) PIK3CD
SCHEMBL788288 0.74 PIK3CD (1.00) PIK3CD
SCHEMBL716728 0.73 PIK3CD (0.57) PIK3CD
SCHEMBL1877699 0.72 PIK3CD (0.45) PIK3CDADORA2AADORA1
SCHEMBL714331 0.71 PIK3CD (0.59) PIK3CDPIK3CG
SCHEMBL1884628 0.71 PIK3CD (0.40) PIK3CDADORA2AADORA1
SCHEMBL859812 0.70 PIK3CD (0.46) PIK3CD

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-8399483-B2 Quinoxaline and quinoline derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2013-03-19 US disclosed
US-20110105508-A1 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA, S.A. (BE) 2011-05-05 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-20110105508-A1 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS PDXK, PDPK1, PIKFYVE PIK3CD 8/4885PIK3CG 9/4885ADORA2A 1938/4885

“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.