SCHEMBL4140191

SCHEMBL4140191

CC(Oc1nc(N2CCOCC2)ncc1C(=O)O)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
PTPN11 Q06124 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
PIK3CD O00329 1/20 0.43
HSD11B1 P28845 4/20 0.42
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CLK4 Q9HAZ1 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACACB O00763 1/20 0.38
HSP90AA1 P07900 1/20 0.38
ADRA1A P35348 1/20 0.38
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 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
SCHEMBL4147485 0.91 POLB (0.51) POLBPTPN11ALDH1A1KDM4EPIK3CD
SCHEMBL4148760 0.87 POLB (0.50) POLBPTPN11ALDH1A1KDM4EPIK3CD
SCHEMBL4132317 0.80 PIK3CD (0.56) POLBPTPN11ALDH1A1KDM4EPIK3CD
SCHEMBL4131816 0.79 PIK3CD (0.63) POLBPTPN11ALDH1A1KDM4EPIK3CD
SCHEMBL4141303 0.79 PIK3CD (0.48) POLBPTPN11ALDH1A1KDM4EPIK3CD
SCHEMBL4141427 0.78 PIK3CD (0.65) POLBPTPN11ALDH1A1KDM4EPIK3CD
SCHEMBL4141107 0.78 PIK3CD (0.65) POLBPTPN11ALDH1A1KDM4EPIK3CD
SCHEMBL4134742 0.78 PIK3CD (0.65) POLBPTPN11ALDH1A1KDM4EPIK3CD
SCHEMBL4144189 0.77 FKBP1A (0.46) POLBPTPN11ALDH1A1KDM4EKMT2A
SCHEMBL4140688 0.77 POLB (0.49) POLBPTPN11ALDH1A1KDM4EPIK3CD

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-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

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 862/4885PTPN11 225/4885ALDH1A1 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.