SCHEMBL4144307

SCHEMBL4144307

CCOC(=O)c1cnc(N2CCOCC2)nc1OC1CCCCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.59
KDM4E B2RXH2 2/20 0.52
ALOX15 P16050 1/20 0.51
PKM P14618 1/20 0.44
TP53 P04637 2/20 0.43
MAPK1 P28482 2/20 0.43
USP2 O75604 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
NR2F2 P24468 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
S1PR2 O95136 1/20 0.43

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
SCHEMBL4148915 0.87 KDM4E (0.52) PIK3CDKDM4EALOX15PKMTP53
SCHEMBL4141427 0.85 PIK3CD (0.65) PIK3CDKDM4EMAPK1ALDH1A1HSD11B1
SCHEMBL4141107 0.85 PIK3CD (0.65) PIK3CDKDM4EMAPK1ALDH1A1HSD11B1
SCHEMBL4134742 0.85 PIK3CD (0.65) PIK3CDKDM4EMAPK1ALDH1A1HSD11B1
SCHEMBL4131816 0.84 PIK3CD (0.63) PIK3CDKDM4EMAPK1ALDH1A1HSD11B1
SCHEMBL13696639 0.84 KDM4E (0.59) KDM4EALOX15PKMTP53MAPK1
SCHEMBL4139569 0.82 KDM4E (0.47) PIK3CDKDM4EALOX15PKMTP53
SCHEMBL4141345 0.81 PIK3CD (0.43) PIK3CDKDM4EALOX15MAPK1HSD17B10
SCHEMBL1014816 0.80 KDM4E (0.57) KDM4EALOX15PKMTP53MAPK1
SCHEMBL4147258 0.80 NR2F2 (0.65) KDM4EALOX15MAPK1ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227587-A1 Pyrimidines as inhibitors of phosphoinositide-3-kinases (PI3K) WARNER-LAMBERT COMPANY LLC 2009-09-10 US disclosed
EP-1682532-B1 PYRIMIDINES AS INHIBITORS OF PHOSPHOINOSITIDE-3-KINASES (PI3K) WARNER LAMBERT CO (US) 2007-06-27 EP disclosed
EP-1682532-A1 PYRIMIDINES AS INHIBITORS OF PHOSPHOINOSITIDE-3-KINASES (PI3K) Warner-Lambert Company LLC (US) 2006-07-26 EP disclosed
WO-2005042519-A1 PYRIMIDINES AS INHIBITORS OF PHOSPHOINOSITIDE -3-KINASES (PI3K) WARNER-LAMBERT COMPANY LLC (US) 2005-05-12 WO 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-20090227587-A1 Pyrimidines as inhibitors of phosphoinositide-3-kinases (PI3K) PIK3CA, PIK3CD, PIK3R5 PIK3CD 2/4885KDM4E 2264/4885ALOX15 1762/4885

“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.