SCHEMBL4141107

SCHEMBL4141107

O=C(O)c1cnc(N2CCOCC2)nc1OC1CCCCCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.65
POLB P06746 2/20 0.48
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
EGLN1 Q9GZT9 3/20 0.45
PTPN11 Q06124 1/20 0.44
HSD11B1 P28845 5/20 0.43
TSHR P16473 1/20 0.41
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
LRRK2 Q5S007 1/20 0.39
CYP1A2 P05177 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 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
SCHEMBL4141427 1.00 PIK3CD (0.65) PIK3CDPOLBALDH1A1KDM4EEGLN1
SCHEMBL4134742 1.00 PIK3CD (0.65) PIK3CDPOLBALDH1A1KDM4EEGLN1
SCHEMBL4131816 0.99 PIK3CD (0.63) PIK3CDPOLBALDH1A1KDM4EEGLN1
SCHEMBL4132317 0.93 PIK3CD (0.56) PIK3CDPOLBALDH1A1KDM4EPTPN11
SCHEMBL4149893 0.85 PIK3CD (0.51) PIK3CDPOLBALDH1A1KDM4EPTPN11
SCHEMBL4144307 0.85 PIK3CD (0.59) PIK3CDPOLBALDH1A1KDM4EHSD11B1
SCHEMBL4141303 0.84 PIK3CD (0.48) PIK3CDPOLBALDH1A1KDM4EPTPN11
SCHEMBL4143896 0.84 PIK3CD (0.48) PIK3CDPOLBALDH1A1KDM4EPTPN11
SCHEMBL4156647 0.82 PIK3CD (0.47) PIK3CDPOLBALDH1A1KDM4EPTPN11
SCHEMBL4144264 0.80 PIK3CD (0.45) PIK3CDPOLBALDH1A1KDM4EEGLN1

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 2/4885POLB 862/4885ALDH1A1 2412/4885

“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.