SCHEMBL806241

SCHEMBL806241

Cn1c(C(=O)NCC2CC2)nc2c(N3CCC4(C3)C(=O)Nc3ccccc34)ncnc21

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.57
PIK3R1 P27986 1/20 0.57
EIF4E P06730 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
HTR1A P08908 11/20 0.38
HTR2A P28223 11/20 0.38
HTR7 P34969 11/20 0.38
HTR6 P50406 11/20 0.38
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
TYK2 P29597 2/20 0.36
JAK3 P52333 2/20 0.36
MAPK14 Q16539 1/20 0.36
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 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
SCHEMBL806199 0.95 PIK3CD (0.60) PIK3CDPIK3R1EIF4EMKNK1MKNK2
SCHEMBL794228 0.92 PIK3CD (0.57) PIK3CDPIK3R1EIF4EMKNK1MKNK2
SCHEMBL10230087 0.92 PIK3CD (0.56) PIK3CDPIK3R1EIF4EMKNK1MKNK2
SCHEMBL794073 0.90 PIK3CD (0.55) PIK3CDPIK3R1EIF4EMKNK1MKNK2
SCHEMBL10227821 0.86 PIK3CD (0.49) PIK3CDPIK3R1EIF4EMKNK1MKNK2
SCHEMBL794680 0.86 PIK3CD (0.54) PIK3CDPIK3R1EIF4EMKNK1MKNK2
SCHEMBL794500 0.85 PIK3CD (0.48) PIK3CDPIK3R1OPRM1OPRK1OPRL1
SCHEMBL788002 0.84 PIK3CD (0.48) PIK3CDPIK3R1TNKSTNKS2
SCHEMBL10229605 0.84 PIK3CD (0.62) PIK3CDPIK3R1EIF4EMKNK1MKNK2
SCHEMBL806200 0.84 PIK3CD (0.46) PIK3CDPIK3R1OPRM1OPRK1OPRL1

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 10 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
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-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
US-20140058103-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-02-27 US 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 6/4885EIF4E 447/4885

“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.