SCHEMBL794052

SCHEMBL794052

Cn1c(C(=O)N2CC(F)(F)C2)nc2c(N3CCC4(CC3)C(=O)Nc3ccccc34)ncnc21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.40
HTR1A P08908 12/20 0.40
HTR2A P28223 12/20 0.40
HTR7 P34969 12/20 0.40
HTR6 P50406 12/20 0.40
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PIK3R1 P27986 2/20 0.37
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35

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
SCHEMBL798764 0.95 PIK3CD (0.41) PIK3CDHTR1AHTR2AHTR7HTR6
SCHEMBL10229583 0.91 PIK3CD (0.42) PIK3CDHTR1AHTR2AHTR7HTR6
SCHEMBL806314 0.91 PIK3CD (0.42) PIK3CDHTR1AHTR2AHTR7HTR6
SCHEMBL795314 0.89 PIK3CD (0.41) PIK3CDHTR1AHTR2AHTR7HTR6
SCHEMBL794567 0.88 PIK3CD (0.42) PIK3CDHTR1AHTR2AHTR7HTR6
SCHEMBL10229586 0.88 PIK3CD (0.42) PIK3CDHTR1AHTR2AHTR7HTR6
SCHEMBL15485851 0.88 PIK3CD (0.42) PIK3CDHTR1AHTR2AHTR7HTR6
SCHEMBL15485449 0.87 HTR1A (0.42) PIK3CDHTR1AHTR2AHTR7HTR6
SCHEMBL15485628 0.85 PIK3CD (0.41) PIK3CDHTR1AHTR2AHTR7HTR6
SCHEMBL788844 0.84 TNKS (0.42) PIK3CDHTR1AHTR2AHTR7HTR6

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 13 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
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 1/4885HTR1A 3879/4885HTR2A 4223/4885

“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.