SCHEMBL2247014

SCHEMBL2247014

CC1CN(c2ncc(-c3ncccn3)cc2C=O)CC(C)O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.40
PIK3CD O00329 2/20 0.40
PIK3CG P48736 1/20 0.40
GAA P10253 4/20 0.39
ALDH1A1 P00352 8/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 2/20 0.38
ATM Q13315 1/20 0.38
GAK O14976 1/20 0.37
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
METAP2 P50579 1/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL2247007 1.00 PIK3CA (0.40) PIK3CAPIK3CDPIK3CGGAAALDH1A1
SCHEMBL2217944 0.86 SCN9A (0.43) PIK3CAPIK3CDPIK3CGGAAALDH1A1
SCHEMBL2215416 0.85 GAK (0.52) PIK3CAGAAALDH1A1TSHRMAPK1
SCHEMBL2216042 0.84 GAK (0.41) PIK3CAPIK3CDPIK3CGGAAALDH1A1
SCHEMBL2212992 0.83 ERN1 (0.44) PIK3CAPIK3CDPIK3CGGAAALDH1A1
SCHEMBL2215363 0.82 LRRK2 (0.40) PIK3CAGAAALDH1A1MEN1KMT2A
SCHEMBL2215359 0.82 KMT2A (0.36) PIK3CAPIK3CDPIK3CGGAAALDH1A1
SCHEMBL2217666 0.82 GAK (0.37) PIK3CAPIK3CDPIK3CGGAAALDH1A1
SCHEMBL2214872 0.82 TDP1 (0.40) PIK3CAPIK3CDPIK3CGGAAALDH1A1
SCHEMBL2212966 0.81 AOC3 (0.37) PIK3CAGAAALDH1A1TSHRMAPK1

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 3969/4885PIK3CD 4358/4885PIK3CG 4259/4885

“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.