SCHEMBL789098

SCHEMBL789098

COc1cc(OC)cc(OCc2cc3cccc(C)c3nc2-c2ccccc2Cl)c1

nearest known ligand 0.90

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 0.90
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ATM Q13315 1/20 0.41
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL15471380 0.96 PIK3CD (0.98) PIK3CDPDE4APDE4BPDE4CPDE4D
SCHEMBL788398 0.93 PIK3CD (1.00) PIK3CDPDE4APDE4BPDE4CPDE4D
SCHEMBL15471381 0.87 PIK3CD (1.00) PIK3CDTSHRL3MBTL1
SCHEMBL788404 0.87 PIK3CD (1.00) PIK3CDPDE4APDE4BPDE4CPDE4D
SCHEMBL788424 0.84 PIK3CD (0.74) PIK3CDPDE4APDE4BPDE4CPDE4D
SCHEMBL793713 0.81 PIK3CD (1.00) PIK3CD
SCHEMBL19219101 0.80 PIK3CD (0.74) PIK3CDPDE4APDE4BPDE4CPDE4D
SCHEMBL1597713 0.80 PIK3CD (0.65) PIK3CDATMDRD4DRD3L3MBTL1
SCHEMBL788596 0.79 PIK3CD (0.74) PIK3CDPDE4APDE4BPDE4CPDE4D
SCHEMBL1886097 0.78 PIK3CD (0.64) PIK3CDATMDRD4DRD3L3MBTL1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10053470-B2 Inhibitors of PI3K-delta and methods of their use and manufacture EXELIXIS, INC. (US) 2018-08-21 US claimed
US-20140303151-A9 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-10-09 US claimed
US-20140045825-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-02-13 US claimed
EP-2616442-A1 INHIBITORS OF PI3K-DELTA AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-07-24 EP claimed
WO-2012037204-A1 INHIBITORS OF PI3K-DELTA AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-03-22 WO claimed
US-10053470-B2 Inhibitors of PI3K-delta and methods of their use and manufacture EXELIXIS, INC. (US) 2018-08-21 US disclosed
EP-2616442-B1 INHIBITORS OF PI3K-DELTA AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS INC (US) 2018-08-08 EP disclosed
US-20170226131-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2017-08-10 US disclosed
US-20170226131-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2017-08-10 US disclosed
US-9670212-B2 Inhibitors of PI3K-delta and methods of their use and manufacture EXELIXIS, INC. (US) 2017-06-06 US disclosed
US-20140303151-A9 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-10-09 US disclosed
US-20140045825-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-02-13 US disclosed
EP-2616442-A1 INHIBITORS OF PI3K-DELTA AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-07-24 EP disclosed
WO-2012037204-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 (4 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-20140303151-A9 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture PIK3CD, PIK3CA, PIK3R5 PIK3CD 1/4885PDE4A 349/4885PDE4B 348/4885
US-20170226131-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture PIK3CD, PIK3CA, PIK3R5 PIK3CD 1/4885PDE4A 359/4885PDE4B 357/4885
US-10053470-B2 Inhibitors of PI3K-delta and methods of their use and manufacture PIK3CD, PIK3CA, PIK3R5 PIK3CD 1/4885PDE4A 359/4885PDE4B 357/4885
US-20140045825-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture PIK3CD, PIK3CA, PIK3R5 PIK3CD 1/4885PDE4A 349/4885PDE4B 348/4885

“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.