SCHEMBL788012

SCHEMBL788012

Cn1c(C(=O)NCC2CC2)nc2c(N3CCC(N4c5ccccc5NS4(=O)=O)CC3)ncnc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.63
PIK3R1 P27986 2/20 0.63
OPRL1 P41146 9/20 0.44
OPRM1 P35372 2/20 0.40
CNR1 P21554 4/20 0.36
CNR2 P34972 3/20 0.36
EIF4E P06730 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
ENPP1 P22413 1/20 0.34
PDE2A O00408 1/20 0.34
PDE4A P27815 1/20 0.34
PIK3CA P42336 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE1C Q14123 1/20 0.34

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
SCHEMBL788011 0.92 PIK3CD (0.63) PIK3CDPIK3R1OPRL1CNR1CNR2
SCHEMBL15490647 0.83 PIK3CD (0.63) PIK3CDPIK3R1CNR1CNR2EIF4E
SCHEMBL794645 0.80 PIK3CD (0.65) PIK3CDPIK3R1CNR1CNR2EIF4E
SCHEMBL788587 0.80 PIK3CD (0.65) PIK3CDPIK3R1
SCHEMBL787761 0.79 PIK3CD (0.65) PIK3CDPIK3R1OPRL1OPRM1
SCHEMBL806202 0.79 PIK3CD (0.66) PIK3CDPIK3R1CNR1CNR2PDE10A
SCHEMBL788962 0.78 PIK3CD (0.69) PIK3CDPIK3R1OPRL1OPRM1CNR1
SCHEMBL788883 0.78 PIK3CD (0.62) PIK3CDPIK3R1CNR1CNR2EIF4E
SCHEMBL10229605 0.78 PIK3CD (0.62) PIK3CDPIK3R1CNR1CNR2EIF4E
SCHEMBL18175791 0.77 PIK3CD (0.63) PIK3CDPIK3R1CNR1CNR2RXFP1

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
EP-2616469-B1 9H-PURINE COMPOUNDS AS PI3K-DELTA INHIBITORS AND METHODS FOR THEIR MANUFACTURE EXELIXIS INC (US) 2016-10-26 EP claimed
US-9346807-B2 Inhibitors of PI3K-delta and methods of their use and manufacture EXELIXIS, INC. (US) 2016-05-24 US claimed
US-20140058103-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-02-27 US claimed
EP-2616469-B1 9H-PURINE COMPOUNDS AS PI3K-DELTA INHIBITORS AND METHODS FOR THEIR MANUFACTURE EXELIXIS INC (US) 2016-10-26 EP disclosed
US-9346807-B2 Inhibitors of PI3K-delta and methods of their use and manufacture EXELIXIS, INC. (US) 2016-05-24 US disclosed
US-20140058103-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-02-27 US disclosed
EP-2616469-A1 INHIBITORS OF PI3K-DELTA AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-07-24 EP disclosed
WO-2012037226-A1 INHIBITORS OF PI3K-DELTA AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-03-22 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-20140058103-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture PIK3CD, PIK3CA, PIK3R5 PIK3CD 1/4885PIK3R1 6/4885OPRL1 2444/4885

“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.