SCHEMBL787999

SCHEMBL787999

CCn1c(C(=O)NCC2CCOCC2)nc2c(N3CCC(n4c(=O)[nH]c5ccccc54)CC3)ncnc21

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.75
PIK3R1 P27986 2/20 0.75
CHRM2 P08172 2/20 0.44
CHRM4 P08173 2/20 0.44
CHRM1 P11229 2/20 0.44
PDE2A O00408 1/20 0.43
PDE4A P27815 1/20 0.43
PIK3CA P42336 1/20 0.43
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE1C Q14123 1/20 0.43
PDE3A Q14432 1/20 0.43
PDE10A Q9Y233 1/20 0.43
PLD1 Q13393 10/20 0.42
TNKS O95271 1/20 0.41
PARP1 P09874 1/20 0.41

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
SCHEMBL796348 0.95 PIK3CD (0.83) PIK3CDPIK3R1CHRM2CHRM4CHRM1
SCHEMBL15485493 0.94 PIK3CD (0.78) PIK3CDPIK3R1CHRM2CHRM4CHRM1
SCHEMBL788134 0.91 PIK3CD (0.90) PIK3CDPIK3R1CHRM2CHRM4CHRM1
SCHEMBL788094 0.90 PIK3CD (0.71) PIK3CDPIK3R1CHRM2CHRM4CHRM1
SCHEMBL793985 0.88 PIK3CD (0.69) PIK3CDPIK3R1PDE2APDE4APIK3CA
SCHEMBL10229601 0.87 PIK3CD (0.68) PIK3CDPIK3R1CHRM2CHRM4CHRM1
SCHEMBL787971 0.87 PIK3CD (0.68) PIK3CDPIK3R1CHRM2CHRM4CHRM1
SCHEMBL788542 0.87 PIK3CD (0.68) PIK3CDPIK3R1CHRM1PDE2APDE4A
SCHEMBL787765 0.87 PIK3CD (0.63) PIK3CDPIK3R1CHRM2CHRM4CHRM1
SCHEMBL787757 0.86 PIK3CD (0.67) PIK3CDPIK3R1CHRM2CHRM4CHRM1

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 16 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
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 6/4885CHRM2 4817/4885

“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.