SCHEMBL4144264

SCHEMBL4144264

O=C(O)c1cnc(N2CCOCC2)nc1Oc1ccc(C2CCCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.45
EGLN1 Q9GZT9 2/20 0.44
HSD11B1 P28845 4/20 0.43
POLB P06746 1/20 0.42
PTPN11 Q06124 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.41
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 3/20 0.40
SLC6A7 Q99884 1/20 0.39
NPC1 O15118 1/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
AOC3 Q16853 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL4139569 0.87 KDM4E (0.47) PIK3CDHSD11B1POLBALDH1A1KDM4E
SCHEMBL4144189 0.81 FKBP1A (0.46) EGLN1POLBPTPN11ALDH1A1KDM4E
SCHEMBL4141107 0.80 PIK3CD (0.65) PIK3CDEGLN1HSD11B1POLBPTPN11
SCHEMBL4134742 0.80 PIK3CD (0.65) PIK3CDEGLN1HSD11B1POLBPTPN11
SCHEMBL4141427 0.80 PIK3CD (0.65) PIK3CDEGLN1HSD11B1POLBPTPN11
SCHEMBL4131816 0.79 PIK3CD (0.63) PIK3CDEGLN1HSD11B1POLBPTPN11
SCHEMBL1013924 0.78 HSD11B1 (0.60) PIK3CDEGLN1HSD11B1POLBPTPN11
SCHEMBL4143896 0.78 PIK3CD (0.48) PIK3CDHSD11B1POLBPTPN11ALDH1A1
SCHEMBL1014270 0.77 HSD11B1 (0.59) PIK3CDEGLN1HSD11B1POLBPTPN11
SCHEMBL4156647 0.76 PIK3CD (0.47) PIK3CDHSD11B1POLBPTPN11ALDH1A1

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 8 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 claimed
EP-1682532-B1 PYRIMIDINES AS INHIBITORS OF PHOSPHOINOSITIDE-3-KINASES (PI3K) WARNER LAMBERT CO (US) 2007-06-27 EP claimed
EP-1682532-A1 PYRIMIDINES AS INHIBITORS OF PHOSPHOINOSITIDE-3-KINASES (PI3K) Warner-Lambert Company LLC (US) 2006-07-26 EP claimed
WO-2005042519-A1 PYRIMIDINES AS INHIBITORS OF PHOSPHOINOSITIDE -3-KINASES (PI3K) WARNER-LAMBERT COMPANY LLC (US) 2005-05-12 WO claimed
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 2/4885EGLN1 3732/4885HSD11B1 1796/4885

“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.