SCHEMBL795082

SCHEMBL795082

CC(C)CCNC(=O)c1nc2c(N3CCC4(CC3)C(=O)Nc3ccccc34)ncnc2n1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.45
PIK3R1 P27986 1/20 0.45
HTR1A P08908 8/20 0.36
HTR2A P28223 8/20 0.36
HTR7 P34969 8/20 0.36
HTR6 P50406 8/20 0.36
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
KDM4E B2RXH2 1/20 0.34
APAF1 O14727 1/20 0.34
USP2 O75604 1/20 0.34
NSD2 O96028 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 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
SCHEMBL15485770 0.92 PIK3CD (0.46) PIK3CDPIK3R1HTR1AHTR2AHTR7
SCHEMBL798466 0.91 PIK3CD (0.46) PIK3CDPIK3R1HTR1AHTR2AHTR7
SCHEMBL806200 0.91 PIK3CD (0.46) PIK3CDPIK3R1HTR1AHTR2AHTR7
SCHEMBL794056 0.91 PIK3CD (0.40) PIK3CDPIK3R1TNKSTNKS2MEN1
SCHEMBL10229577 0.90 PIK3CD (0.45) PIK3CDPIK3R1HTR1AHTR2AHTR7
SCHEMBL794984 0.90 PIK3CD (0.45) PIK3CDPIK3R1HTR1AHTR2AHTR7
SCHEMBL794500 0.89 PIK3CD (0.48) PIK3CDPIK3R1HTR1AHTR2AHTR7
SCHEMBL15485455 0.89 PIK3CD (0.45) PIK3CDPIK3R1HTR1AHTR2AHTR7
SCHEMBL788856 0.89 PIK3CD (0.45) PIK3CDPIK3R1HTR1AHTR2AHTR7
SCHEMBL15485605 0.88 PIK3CD (0.44) PIK3CDPIK3R1HTR1AHTR2AHTR7

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 11 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

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 6/4885HTR1A 3879/4885

“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.