SCHEMBL806233

SCHEMBL806233

CN(C)CCN1C(=O)C2(CCN(c3ncnc4c3nc(C(=O)NCC3CC3)n4C)CC2)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.54
PIK3R1 P27986 1/20 0.54
OPRL1 P41146 12/20 0.40
OPRM1 P35372 3/20 0.38
OPRK1 P41145 2/20 0.38
EIF4E P06730 2/20 0.36
MKNK1 Q9BUB5 2/20 0.36
MKNK2 Q9HBH9 2/20 0.36
THRB P10828 1/20 0.36
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
NAPEPLD Q6IQ20 1/20 0.35
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
UBE2N P61088 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
SCHEMBL18175769 0.91 PIK3CD (0.54) PIK3CDPIK3R1OPRL1OPRM1OPRK1
SCHEMBL806198 0.89 PIK3CD (0.60) PIK3CDPIK3R1OPRL1OPRM1OPRK1
SCHEMBL794109 0.82 PIK3CD (0.59) PIK3CDPIK3R1EIF4EMKNK1MKNK2
SCHEMBL806199 0.81 PIK3CD (0.60) PIK3CDPIK3R1OPRL1OPRM1OPRK1
SCHEMBL788072 0.81 PIK3CD (0.58) PIK3CDPIK3R1EIF4EMKNK1MKNK2
SCHEMBL806241 0.78 PIK3CD (0.57) PIK3CDPIK3R1OPRL1OPRM1OPRK1
SCHEMBL794228 0.78 PIK3CD (0.57) PIK3CDPIK3R1OPRL1OPRM1OPRK1
SCHEMBL806116 0.78 PIK3CD (0.60) PIK3CDPIK3R1NAPEPLD
SCHEMBL795508 0.78 PIK3CD (0.58) PIK3CDPIK3R1EIF4EMKNK1MKNK2
SCHEMBL806325 0.78 PIK3CD (0.58) PIK3CDPIK3R1

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 11 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-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
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 6/4885OPRL1 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.