SCHEMBL4140187

SCHEMBL4140187

CC1(COc2nc(N3CCOCC3)ncc2C(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
HSD11B1 P28845 5/20 0.46
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 1/20 0.45
PTPN11 Q06124 1/20 0.43
PDE5A O76074 1/20 0.40
CNR2 P34972 1/20 0.39
PIK3CD O00329 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 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
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 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
SCHEMBL4141423 0.81 HSD11B1 (0.52) POLBHSD11B1KDM4EALDH1A1PTPN11
SCHEMBL4140688 0.81 POLB (0.49) POLBHSD11B1KDM4EALDH1A1PTPN11
SCHEMBL4147485 0.79 POLB (0.51) POLBHSD11B1KDM4EALDH1A1PTPN11
SCHEMBL4148760 0.78 POLB (0.50) POLBHSD11B1KDM4EALDH1A1PTPN11
SCHEMBL4143896 0.76 PIK3CD (0.48) POLBHSD11B1KDM4EALDH1A1PTPN11
SCHEMBL4149893 0.76 PIK3CD (0.51) POLBHSD11B1KDM4EALDH1A1PTPN11
SCHEMBL4132317 0.75 PIK3CD (0.56) POLBHSD11B1KDM4EALDH1A1PTPN11
SCHEMBL4140191 0.75 POLB (0.47) POLBHSD11B1KDM4EALDH1A1PTPN11
SCHEMBL1013949 0.75 POLB (0.59) POLBHSD11B1KDM4EALDH1A1PTPN11
SCHEMBL4156647 0.75 PIK3CD (0.47) POLBHSD11B1KDM4EALDH1A1PTPN11

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 862/4885HSD11B1 1796/4885KDM4E 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.