SCHEMBL794438

SCHEMBL794438

CCn1c(C(=O)N[C@H]2CC[C@H](O)CC2)nc2c(N3CCC(n4c(=O)[nH]c5ncccc54)CC3)ncnc21

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.57
PIK3R1 P27986 2/20 0.57
PDE4B Q07343 2/20 0.57
PDE4D Q08499 2/20 0.57
PDE2A O00408 1/20 0.57
PDE4A P27815 1/20 0.57
PIK3CA P42336 1/20 0.57
PDE1A P54750 1/20 0.57
PDE1B Q01064 1/20 0.57
PDE4C Q08493 1/20 0.57
PDE3B Q13370 1/20 0.57
PDE1C Q14123 1/20 0.57
PDE3A Q14432 1/20 0.57
PDE10A Q9Y233 1/20 0.57
CALCRL Q16602 15/20 0.42
TNKS O95271 1/20 0.40
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40

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
SCHEMBL794439 1.00 PIK3CD (0.57) PIK3CDPIK3R1PDE4BPDE4DPDE2A
SCHEMBL794047 0.91 PIK3CD (0.61) PIK3CDPIK3R1PDE4BPDE4DPDE2A
SCHEMBL794046 0.91 PIK3CD (0.61) PIK3CDPIK3R1PDE4BPDE4DPDE2A
SCHEMBL798841 0.90 PIK3CD (0.64) PIK3CDPIK3R1PDE4BPDE4DPDE2A
SCHEMBL15485860 0.90 PIK3CD (0.64) PIK3CDPIK3R1PDE4BPDE4DPDE2A
SCHEMBL793860 0.88 PIK3CD (0.68) PIK3CDPIK3R1PDE4BPDE4DPDE2A
SCHEMBL794254 0.87 PIK3CD (0.56) PIK3CDPIK3R1PDE4BPDE4DPDE2A
SCHEMBL795544 0.85 PIK3CD (0.65) PIK3CDPIK3R1PDE4BPDE4DPDE2A
SCHEMBL18175790 0.84 PIK3CD (0.64) PIK3CDPIK3R1PDE4BPDE4DPDE2A
SCHEMBL787765 0.82 PIK3CD (0.63) PIK3CDPIK3R1PDE4BPDE4DPDE2A

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 12 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
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 6/4885PDE4B 348/4885

“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.