SCHEMBL794133

SCHEMBL794133

CCn1ncc(-c2nc3c(N4CCC(n5c(=O)[nH]c6ncccc65)CC4)ncnc3n2C)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 1.00
PIK3R1 P27986 5/20 1.00
PIK3CA P42336 4/20 1.00
PDE2A O00408 1/20 1.00
PDE4A P27815 1/20 1.00
PDE1A P54750 1/20 1.00
PDE1B Q01064 1/20 1.00
PDE4B Q07343 1/20 1.00
PDE4C Q08493 1/20 1.00
PDE4D Q08499 1/20 1.00
PDE3B Q13370 1/20 1.00
PDE1C Q14123 1/20 1.00
PDE3A Q14432 1/20 1.00
PDE10A Q9Y233 1/20 1.00

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
SCHEMBL794880 0.91 PIK3CD (0.83) PIK3CDPIK3R1PIK3CAPDE2APDE4A
SCHEMBL806205 0.89 PIK3CD (0.81) PIK3CDPIK3R1PIK3CAPDE2APDE4A
SCHEMBL794963 0.87 PIK3CD (0.76) PIK3CDPIK3R1PIK3CAPDE2APDE4A
SCHEMBL788444 0.85 PIK3CD (0.74) PIK3CDPIK3R1PIK3CAPDE2APDE4A
SCHEMBL806219 0.84 PIK3CD (0.73) PIK3CDPIK3R1PIK3CAPDE2APDE4A
SCHEMBL15720339 0.84 PIK3CD (1.00) PIK3CDPIK3R1PIK3CAPDE2APDE4A
SCHEMBL17312137 0.84 PIK3CD (1.00) PIK3CDPIK3R1PIK3CAPDE2APDE4A
SCHEMBL17312071 0.84 PIK3CD (1.00) PIK3CDPIK3R1PIK3CAPDE2APDE4A
SCHEMBL788786 0.83 PIK3CD (0.72) PIK3CDPIK3R1PIK3CAPDE2APDE4A
SCHEMBL788845 0.83 PIK3CD (0.70) PIK3CDPIK3R1PIK3CAPDE2APDE4A

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-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

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 6/4885PIK3CA 2/4885

“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.