SCHEMBL788210

SCHEMBL788210

COc1cc(COc2cc3cccc(C)c3nc2-c2ccccc2C)cc(OC)c1

nearest known ligand 0.88

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.88
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ABCB1 P08183 3/20 0.44
FGFR2 P21802 1/20 0.43
FGFR3 P22607 1/20 0.43
ATM Q13315 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42

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
SCHEMBL15471443 0.94 PIK3CD (0.98) PIK3CDMAPTHTTSMN1; SMN2ABCB1
SCHEMBL12014769 0.81 PIK3CD (0.61) PIK3CDMAPTSMN1; SMN2ATMPDE4A
SCHEMBL12014775 0.74 PIK3CD (0.54) PIK3CDMAPTSMN1; SMN2ATM
SCHEMBL8241510 0.74 ABCB1 (0.61) PIK3CDMAPTHTTSMN1; SMN2ABCB1
SCHEMBL789098 0.73 PIK3CD (0.90) PIK3CDATMPDE4APDE4BPDE4C
SCHEMBL15471380 0.72 PIK3CD (0.98) PIK3CDATMPDE4APDE4BPDE4C
SCHEMBL12560290 0.71 PIK3CD (0.51) PIK3CDSMN1; SMN2ATM
SCHEMBL12014774 0.71 PIK3CD (0.65) PIK3CDMAPTATMPDE4APDE4B
SCHEMBL12014776 0.71 ATM (0.52) PIK3CDMAPTSMN1; SMN2ATM
SCHEMBL12014778 0.71 PIK3CD (0.51) PIK3CDATM

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
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
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-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 1/4885MAPT 3458/4885HTT 3547/4885
US-20170226131-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture PIK3CD, PIK3CA, PIK3R5 PIK3CD 1/4885MAPT 3501/4885HTT 3591/4885
US-10053470-B2 Inhibitors of PI3K-delta and methods of their use and manufacture PIK3CD, PIK3CA, PIK3R5 PIK3CD 1/4885MAPT 3501/4885HTT 3591/4885
US-20140045825-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture PIK3CD, PIK3CA, PIK3R5 PIK3CD 1/4885MAPT 3458/4885HTT 3547/4885

“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.