SCHEMBL1884628

SCHEMBL1884628

Cc1nc(N)nc(OCc2cc3cccc(C)c3nc2-c2ccsc2)n1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.40
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
NPY5R Q15761 1/20 0.33
TP53 P04637 1/20 0.33
GPBAR1 Q8TDU6 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
SCHEMBL1888178 0.87 PIK3CD (0.45) PIK3CD
SCHEMBL1882523 0.85 PIK3CD (0.40) PIK3CDGAAMAPTADORA2AADORA1
SCHEMBL1880629 0.83 PIK3CD (0.54) PIK3CDADORA2AADORA1
SCHEMBL1883982 0.81 PIK3CD (0.39) PIK3CD
SCHEMBL1891096 0.77 PIK3CD (0.44) PIK3CDADORA2AADORA1
SCHEMBL1878979 0.77 MEN1 (0.43) PIK3CDGAAMAPTTP53GPBAR1
SCHEMBL1885110 0.77 GPBAR1 (0.42) PIK3CDGAAMAPTTP53GPBAR1
SCHEMBL1883858 0.76 PIK3CD (0.41) PIK3CDADORA2AADORA1
SCHEMBL1886855 0.75 PLAU (0.39) ADORA2AADORA1
SCHEMBL14768337 0.72 GAA (0.38) PIK3CDGAAMAPTADORA2AADORA1

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 8/4885GAA 1142/4885MAPT 2318/4885

“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.