SCHEMBL788844

SCHEMBL788844

COC(=O)c1nc2c(N3CCC4(CC3)C(=O)Nc3ccccc34)ncnc2n1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
PIK3CD O00329 2/20 0.41
PIK3R1 P27986 1/20 0.41
HTR1A P08908 9/20 0.39
HTR2A P28223 9/20 0.39
HTR7 P34969 9/20 0.39
HTR6 P50406 9/20 0.39
BACE1 P56817 2/20 0.38
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
KMT2A Q03164 1/20 0.36
ROCK2 O75116 2/20 0.35
PRKACA P17612 2/20 0.35
PRKACG P22612 2/20 0.35
PRKACB P22694 2/20 0.35
LIMK1 P53667 2/20 0.35
LIMK2 P53671 2/20 0.35
CNR1 P21554 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
SCHEMBL15485449 0.90 HTR1A (0.42) TNKSTNKS2PIK3CDPIK3R1HTR1A
SCHEMBL794093 0.89 PIK3CD (0.42) TNKSTNKS2PIK3CDPIK3R1HTR1A
SCHEMBL15485390 0.87 PIK3CD (0.42) TNKSTNKS2PIK3CDPIK3R1HTR1A
SCHEMBL794500 0.87 PIK3CD (0.48) TNKSTNKS2PIK3CDPIK3R1HTR1A
SCHEMBL10229583 0.86 PIK3CD (0.42) TNKSTNKS2PIK3CDPIK3R1HTR1A
SCHEMBL806314 0.86 PIK3CD (0.42) TNKSTNKS2PIK3CDPIK3R1HTR1A
SCHEMBL788652 0.86 PIK3CD (0.47) TNKSTNKS2PIK3CDPIK3R1HTR1A
SCHEMBL798466 0.85 PIK3CD (0.46) TNKSTNKS2PIK3CDPIK3R1HTR1A
SCHEMBL806200 0.85 PIK3CD (0.46) TNKSTNKS2PIK3CDPIK3R1HTR1A
SCHEMBL787977 0.85 PIK3CD (0.46) TNKSTNKS2PIK3CDPIK3R1OPRM1

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
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 TNKS 511/4885TNKS2 612/4885PIK3CD 1/4885

“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.