SCHEMBL788059

SCHEMBL788059

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

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.58
PIK3R1 P27986 1/20 0.58
CHRM4 P08173 1/20 0.40
GRM2 Q14416 1/20 0.39
CNR1 P21554 4/20 0.39
CNR2 P34972 2/20 0.39
ADRA1D P25100 6/20 0.38
ADRA1A P35348 6/20 0.38
ADRA1B P35368 5/20 0.38
BDKRB1 P46663 1/20 0.38
AOC3 Q16853 1/20 0.38
ALDH1A1 P00352 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 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
SCHEMBL787665 0.88 PIK3CD (0.61) PIK3CDPIK3R1CNR1CNR2JAK1
SCHEMBL806116 0.87 PIK3CD (0.60) PIK3CDPIK3R1CNR1CNR2
SCHEMBL806202 0.82 PIK3CD (0.66) PIK3CDPIK3R1GRM2CNR1CNR2
SCHEMBL18175791 0.80 PIK3CD (0.63) PIK3CDPIK3R1CNR1CNR2
SCHEMBL794109 0.79 PIK3CD (0.59) PIK3CDPIK3R1CNR1CNR2ALDH1A1
SCHEMBL795508 0.79 PIK3CD (0.58) PIK3CDPIK3R1CNR1CNR2
SCHEMBL788072 0.79 PIK3CD (0.58) PIK3CDPIK3R1CNR1CNR2ADRA1D
SCHEMBL15485466 0.79 PIK3CD (0.56) PIK3CDPIK3R1
SCHEMBL788225 0.79 PIK3CD (0.56) PIK3CDPIK3R1CNR1CNR2
SCHEMBL806198 0.79 PIK3CD (0.60) PIK3CDPIK3R1CNR1CNR2

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 15 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

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 6/4885CHRM4 4872/4885

“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.