SCHEMBL788927

SCHEMBL788927

Cc1ccccc1-c1cc2c(C)cccc2nc1Cn1nc(I)c2c(N)ncnc21

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 5/20 0.64
PIK3CD O00329 14/20 0.55
PIK3C2B O00750 1/20 0.44
SRC P12931 2/20 0.43
EGFR P00533 1/20 0.43
CDK1 P06493 1/20 0.43
ABL1 P00519 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
MTOR P42345 1/20 0.40
PRKDC P78527 1/20 0.40

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
SCHEMBL794886 0.90 PIK3CG (0.75) PIK3CGPIK3CDPIK3C2B
SCHEMBL12599287 0.83 PIK3CG (0.67) PIK3CGPIK3CDPIK3C2BSRCABL1
SCHEMBL15463738 0.81 PIK3CG (0.67) PIK3CGPIK3CDPIK3C2BSRCEGFR
SCHEMBL12599286 0.81 PIK3CG (0.69) PIK3CGPIK3CDPIK3C2BSRCABL1
SCHEMBL1598996 0.78 PIK3CD (0.72) PIK3CGPIK3CDPIK3C2BSRCABL1
SCHEMBL13973987 0.78 PIK3CG (0.65) PIK3CGPIK3CDPIK3C2B
SCHEMBL681818 0.78 PIK3CG (1.00) PIK3CGPIK3CDPIK3C2B
SCHEMBL1596827 0.76 PIK3CD (0.77) PIK3CGPIK3CDPIK3C2BSRCABL1
SCHEMBL12560391 0.76 PIK3CD (0.56) PIK3CGPIK3CDPIK3C2B
SCHEMBL680911 0.76 PIK3CG (0.81) PIK3CGPIK3CDPIK3C2B

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 20 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-20170226131-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2017-08-10 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-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-9670212-B2 Inhibitors of PI3K-delta and methods of their use and manufacture EXELIXIS, INC. (US) 2017-06-06 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-20140303151-A9 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-10-09 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
US-20140045825-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-02-13 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 PIK3CG 4/4885PIK3CD 1/4885PIK3C2B 9/4885
US-20170226131-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture PIK3CD, PIK3CA, PIK3R5 PIK3CG 4/4885PIK3CD 1/4885PIK3C2B 9/4885
US-10053470-B2 Inhibitors of PI3K-delta and methods of their use and manufacture PIK3CD, PIK3CA, PIK3R5 PIK3CG 4/4885PIK3CD 1/4885PIK3C2B 9/4885
US-20140045825-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture PIK3CD, PIK3CA, PIK3R5 PIK3CG 4/4885PIK3CD 1/4885PIK3C2B 9/4885

“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.