SCHEMBL787665

SCHEMBL787665

Cn1c(C(=O)NCC2CC2)nc2c(N3CCC(O)(c4ccccc4)CC3)ncnc21

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.61
PIK3R1 P27986 1/20 0.61
CNR1 P21554 8/20 0.40
CNR2 P34972 6/20 0.40
JAK1 P23458 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SCN9A Q15858 1/20 0.39
PIK3CA P42336 2/20 0.38
MTOR P42345 2/20 0.38
NAPEPLD Q6IQ20 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL806116 0.90 PIK3CD (0.60) PIK3CDPIK3R1CNR1CNR2NAPEPLD
SCHEMBL788059 0.88 PIK3CD (0.58) PIK3CDPIK3R1CNR1CNR2JAK1
SCHEMBL806202 0.84 PIK3CD (0.66) PIK3CDPIK3R1CNR1CNR2SMN1; SMN2
SCHEMBL18175791 0.83 PIK3CD (0.63) PIK3CDPIK3R1CNR1CNR2MEN1
SCHEMBL794109 0.82 PIK3CD (0.59) PIK3CDPIK3R1CNR1CNR2MEN1
SCHEMBL788225 0.81 PIK3CD (0.56) PIK3CDPIK3R1CNR1CNR2MEN1
SCHEMBL806198 0.81 PIK3CD (0.60) PIK3CDPIK3R1CNR1CNR2KMT2A
SCHEMBL15485466 0.81 PIK3CD (0.56) PIK3CDPIK3R1SCN9A
SCHEMBL788072 0.81 PIK3CD (0.58) PIK3CDPIK3R1CNR1CNR2KMT2A
SCHEMBL795508 0.81 PIK3CD (0.58) PIK3CDPIK3R1CNR1CNR2KMT2A

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 16 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-A1 INHIBITORS OF PI3K-DELTA AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-07-24 EP claimed
WO-2012037226-A1 INHIBITORS OF PI3K-DELTA AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-03-22 WO 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-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
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
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 6/4885CNR1 2500/4885

“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.