SCHEMBL788539

SCHEMBL788539

COc1nc2c(Cl)ncnc2[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.39
ADORA3 P0DMS8 3/20 0.37
ADORA2A P29274 3/20 0.37
ADORA1 P30542 1/20 0.37
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 2/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
IDH1 O75874 1/20 0.33
PDPK1 O15530 1/20 0.33
DYRK1A Q13627 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
DAO P14920 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL15490615 0.83 CCNB2 (0.34) KMT2AMEN1MAPTLMNAKDM4E
SCHEMBL29100845 0.77 DAO (0.49) AURKAIDH1DAOCCR4
SCHEMBL9544738 0.71 ADORA3 (0.40) AURKAADORA3ADORA2AADORA1KDM4E
SCHEMBL6016628 0.70 CHEK1 (0.37) AURKAADORA3ADORA2AADORA1KMT2A
SCHEMBL12489702 0.69 CHEK1 (0.36) AURKAADORA3ADORA2AADORA1ALDH1A1
SCHEMBL788188 0.68 ALDH1A1 (0.38) ADORA3ADORA2AADORA1KMT2AMEN1
SCHEMBL17289600 0.67 ADORA2A (0.43) AURKAADORA3ADORA2AADORA1DYRK1A
SCHEMBL24401311 0.67 KDM4E (0.51) ADORA3ADORA2AADORA1LMNAKDM4E
SCHEMBL5848451 0.67 ADORA3 (0.41) AURKAADORA3ADORA2AADORA1KMT2A
SCHEMBL10688882 0.65 AURKA (0.42) AURKAADORA3ADORA2AKMT2AMEN1

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 9 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 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 AURKA 651/4885ADORA3 2832/4885ADORA2A 3349/4885

“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.