SCHEMBL682022

SCHEMBL682022

CC(=O)Nc1nc2ccc(-c3nn(Cc4cc5ccccc5nc4N4CCN(C)CC4)c4ncnc(N)c34)cc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 7/20 1.00
PIK3CD O00329 4/20 1.00
PIK3CA P42336 2/20 1.00
PIK3CB P42338 2/20 1.00
PIK3C2B O00750 12/20 0.80

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
SCHEMBL681691 0.95 PIK3CG (0.90) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C2B
SCHEMBL681040 0.93 PIK3CG (0.87) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C2B
SCHEMBL682397 0.93 PIK3CG (0.86) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C2B
SCHEMBL15892705 0.91 PIK3CG (0.83) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C2B
SCHEMBL681785 0.89 PIK3C2B (1.00) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C2B
SCHEMBL680974 0.88 PIK3CG (1.00) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C2B
SCHEMBL681964 0.87 PIK3C2B (0.80) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C2B
SCHEMBL681724 0.87 PIK3C2B (0.79) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C2B
SCHEMBL681734 0.86 PIK3CG (0.80) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C2B
SCHEMBL682054 0.86 PIK3CG (0.77) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9949979-B2 Use of inhibitors of the activity or function of PI3K NOVARTIS AG (CH) 2018-04-24 US disclosed
US-9949979-B2 Use of inhibitors of the activity or function of PI3K NOVARTIS AG (CH) 2018-04-24 US disclosed
US-9790228-B2 Heterocyclic kinase inhibitors INTELLIKINE LLC (US) 2017-10-17 US disclosed
US-9790228-B2 Heterocyclic kinase inhibitors INTELLIKINE LLC (US) 2017-10-17 US disclosed
EP-2346508-B1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE LLC (US) 2016-08-24 EP disclosed
US-20160168157-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE LLC 2016-06-16 US disclosed
US-20160168157-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE LLC 2016-06-16 US disclosed
US-9296742-B2 Heterocyclic kinase inhibitors INTELLIKINE LLC (US) 2016-03-29 US disclosed
US-9296742-B2 Heterocyclic kinase inhibitors INTELLIKINE LLC (US) 2016-03-29 US disclosed
US-20150342951-A1 Use of Inhibitors of the Activity or Function of PI3K NOVARTIS AG (CH) 2015-12-03 US disclosed
US-20150342951-A1 Use of Inhibitors of the Activity or Function of PI3K NOVARTIS AG (CH) 2015-12-03 US disclosed
US-20140206685-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE LLC (US) 2014-07-24 US disclosed
US-20140206685-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE LLC (US) 2014-07-24 US disclosed
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE, INC. (US) 2011-11-17 US disclosed
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE, INC. (US) 2011-11-17 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 (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-20160168157-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 PIK3CG 191/4885PIK3CD 147/4885PIK3CA 48/4885
US-20140206685-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 PIK3CG 191/4885PIK3CD 147/4885PIK3CA 48/4885
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 PIK3CG 191/4885PIK3CD 147/4885PIK3CA 48/4885
US-20150342951-A1 Use of Inhibitors of the Activity or Function of PI3K TLR9, PIK3CD, PIK3R5 PIK3CG 4/4885PIK3CD 2/4885PIK3CA 8/4885

“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.