SCHEMBL1958192

SCHEMBL1958192

O=C(O)c1ccnn1CC1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.40
SLC16A3 O15427 1/20 0.39
SLC16A1 P53985 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3R2 O00459 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
PIK3R5 Q8WYR1 1/20 0.39
PIK3R3 Q92569 1/20 0.39
CNR2 P34972 9/20 0.38
CNR1 P21554 7/20 0.38
OPRM1 P35372 1/20 0.36
EED O75530 1/20 0.36
RBBP4 Q09028 1/20 0.36
SUZ12 Q15022 1/20 0.36
EZH2 Q15910 1/20 0.36
AEBP2 Q6ZN18 1/20 0.36
PDE8B O95263 1/20 0.36
NR3C1 P04150 1/20 0.35

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
SCHEMBL17437948 0.91 NOTUM (0.37)
SCHEMBL15651998 0.87 OPRM1 (0.43) FEN1SLC16A3SLC16A1PIK3CDPIK3R2
SCHEMBL24757735 0.86 KDM4C (0.43) FEN1
SCHEMBL24103071 0.84 MAPK1 (0.37) FEN1
SCHEMBL1957095 0.81 LMNA (0.46) SLC16A3SLC16A1PIK3CAEEDRBBP4
SCHEMBL24103794 0.79 MAPK1 (0.40) PIK3CD
SCHEMBL24103857 0.78 KDM5A (0.34)
SCHEMBL23273712 0.77 HTT (0.44) FEN1PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL22338728 0.76 KCNH2 (0.38) OPRM1
SCHEMBL25857668 0.74 KDM4E (0.42) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507223-A1 BENZPYRAZOLE DERIVATIVES AS INHIBITORS OF P13 KINASES Glaxo Group Limited (GB) 2012-10-10 EP disclosed
US-20120245171-A1 BENZPYRAZOLE DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2012-09-27 US disclosed
US-20120245171-A1 BENZPYRAZOLE DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2012-09-27 US disclosed
US-20120245171-A1 BENZPYRAZOLE DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2012-09-27 US disclosed
WO-2011067365-A1 BENZPYRAZOLE DERIVATIVES AS INHIBITORS OF P13 KINASES GLAXO GROUP LIMITED (GB) 2011-06-09 WO disclosed
WO-2011067365-A1 BENZPYRAZOLE DERIVATIVES AS INHIBITORS OF P13 KINASES GLAXO GROUP LIMITED (GB) 2011-06-09 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-20120245171-A1 BENZPYRAZOLE DERIVATIVES AS INHIBITORS OF PI3 KINASES PIK3C3, PIK3CA, PIK3CD FEN1 2842/4885SLC16A3 3357/4885SLC16A1 3943/4885

“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.