SCHEMBL4132326

SCHEMBL4132326

O=C(O)c1cnc(N2CCOCC2)nc1SC1CCCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 2/20 0.46
PTPN11 Q06124 2/20 0.44
HSD11B1 P28845 6/20 0.43
PIK3CD O00329 1/20 0.43
TSHR P16473 1/20 0.41
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
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
CYP11B2 P19099 1/20 0.38
ABL1 P00519 1/20 0.38

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
SCHEMBL1013924 0.80 HSD11B1 (0.60) POLBALDH1A1KDM4EPTPN11HSD11B1
SCHEMBL1014270 0.78 HSD11B1 (0.59) POLBALDH1A1KDM4EPTPN11HSD11B1
SCHEMBL4141107 0.77 PIK3CD (0.65) POLBALDH1A1KDM4EPTPN11HSD11B1
SCHEMBL4134742 0.77 PIK3CD (0.65) POLBALDH1A1KDM4EPTPN11HSD11B1
SCHEMBL4141427 0.77 PIK3CD (0.65) POLBALDH1A1KDM4EPTPN11HSD11B1
SCHEMBL4139629 0.77 MERTK (0.52) POLBALDH1A1KDM4EPTPN11HSD11B1
SCHEMBL1015254 0.76 HSD11B1 (0.59) POLBALDH1A1KDM4EPTPN11HSD11B1
SCHEMBL1013041 0.75 HSD11B1 (0.60) POLBALDH1A1KDM4EPTPN11HSD11B1
SCHEMBL4140382 0.75 MERTK (0.53) POLBALDH1A1KDM4EPTPN11HSD11B1
SCHEMBL4131816 0.75 PIK3CD (0.63) POLBALDH1A1KDM4EPTPN11HSD11B1

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 POLB 862/4885ALDH1A1 2412/4885KDM4E 2264/4885

“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.