SCHEMBL4528169

SCHEMBL4528169

Nc1nc(N2CCOCC2)c2nc(-c3ccc4c(c3)OCO4)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.48
PIK3CG P48736 3/20 0.48
MTOR P42345 2/20 0.48
SRC P12931 1/20 0.47
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
NOS1 P29475 2/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PRKDC P78527 1/20 0.42

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
SCHEMBL4107896 0.84 PDE4A (0.51) SRCADORA3ADORA2AADORA1ALDH1A1
SCHEMBL4528710 0.83 PIK3CD (0.54) PIK3CAPIK3CGMTORNOS1NPC1
SCHEMBL4114399 0.82 NOS1 (0.47) PIK3CAPIK3CGMTORADORA2AADORA1
SCHEMBL4107655 0.82 AR (0.50) PIK3CAPIK3CGMTORNOS1ALDH1A1
SCHEMBL4114309 0.81 NOS1 (0.52) PIK3CAPIK3CGMTORNOS1ALDH1A1
SCHEMBL4101991 0.81 NOS1 (0.52) PIK3CAPIK3CGMTORNOS1ALDH1A1
SCHEMBL8149062 0.80 PDE4A (0.51) PIK3CAALDH1A1LMNANPC1RAB9A
SCHEMBL4101506 0.80 NOS1 (0.45) PIK3CAPIK3CGMTORSRCNOS1
SCHEMBL4101346 0.80 JAK2 (0.48) PIK3CAPIK3CGMTORNOS1PRKDC
SCHEMBL4121640 0.80 PDE4A (0.46) PIK3CAPIK3CGMTORNOS1ALDH1A1

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-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US disclosed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 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-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C DPYD, TYMP, PNPO PIK3CA 609/4885PIK3CG 547/4885MTOR 4361/4885

“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.