SCHEMBL2216429

SCHEMBL2216429

C[C@@H]1CN(c2ncc(-c3ccc(-c4ccn[nH]4)s3)cc2C=O)C[C@H](C)O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.44
PIK3R1 P27986 4/20 0.44
MTOR P42345 4/20 0.44
PIK3CD O00329 3/20 0.44
PIK3CB P42338 3/20 0.44
PIK3CG P48736 2/20 0.44
LRRK2 Q5S007 4/20 0.41
RAB9A P51151 2/20 0.34
MAPT P10636 1/20 0.34
METAP2 P50579 1/20 0.33
GAK O14976 2/20 0.32
GAA P10253 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
HPGDS O60760 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32

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
SCHEMBL2216763 0.84 ERN1 (0.40) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL2215000 0.82 PIK3CA (0.34) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL2212813 0.77 ERN1 (0.46) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL2213140 0.77 GAA (0.42) PIK3CAPIK3R1MTORMAPTGAK
SCHEMBL2216042 0.76 GAK (0.41) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL2215017 0.75 GAK (0.35) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL2216045 0.75 ALDH1A1 (0.37) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL2215416 0.74 GAK (0.52) PIK3CARAB9AMAPTGAKGAA
SCHEMBL2247014 0.74 PIK3CA (0.40) PIK3CAPIK3CDPIK3CBPIK3CGRAB9A
SCHEMBL2247007 0.74 PIK3CA (0.40) PIK3CAPIK3CDPIK3CBPIK3CGRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178064-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL ASTRAZENECA R&D (SE) 2011-07-21 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-20110178064-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL TBCA, TUBA1A, BROX PIK3CA 3969/4885PIK3R1 4387/4885MTOR 722/4885

“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.