SCHEMBL794500

SCHEMBL794500

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.48
PIK3R1 P27986 1/20 0.48
IP6K1 Q92551 3/20 0.41
CNR1 P21554 3/20 0.39
CNR2 P34972 3/20 0.39
HTR1A P08908 8/20 0.39
HTR2A P28223 8/20 0.39
HTR7 P34969 8/20 0.39
HTR6 P50406 8/20 0.39
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
CHIA Q9BZP6 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
SIRT3 Q9NTG7 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
SCHEMBL798466 0.93 PIK3CD (0.46) PIK3CDPIK3R1IP6K1CNR1CNR2
SCHEMBL10229577 0.92 PIK3CD (0.45) PIK3CDPIK3R1IP6K1CNR1CNR2
SCHEMBL806200 0.92 PIK3CD (0.46) PIK3CDPIK3R1IP6K1CNR1CNR2
SCHEMBL806240 0.91 PIK3CD (0.46) PIK3CDPIK3R1CNR1CNR2HTR1A
SCHEMBL806327 0.91 PIK3CD (0.46) PIK3CDPIK3R1IP6K1CNR1CNR2
SCHEMBL15485770 0.91 PIK3CD (0.46) PIK3CDPIK3R1IP6K1CNR1CNR2
SCHEMBL788476 0.91 PIK3CD (0.41) PIK3CDPIK3R1IP6K1CNR1CNR2
SCHEMBL15485605 0.90 PIK3CD (0.44) PIK3CDPIK3R1IP6K1CNR1CNR2
SCHEMBL806204 0.90 PIK3CD (0.45) PIK3CDPIK3R1IP6K1CNR1CNR2
SCHEMBL794984 0.90 PIK3CD (0.45) PIK3CDPIK3R1CNR1CNR2HTR1A

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 6/4885IP6K1 143/4885

“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.