SCHEMBL685885

SCHEMBL685885

Nc1ncnc2c1c(-c1cccc(O)c1)nn2Cc1cc2ccccc2[nH]c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 1.00
PIK3CG P48736 10/20 0.65
PIK3C2B O00750 3/20 0.59
ABL1 P00519 1/20 0.55
SRC P12931 1/20 0.55
PIK3CA P42336 1/20 0.55
PIK3CB P42338 1/20 0.55
MTOR P42345 1/20 0.55
PRKDC P78527 1/20 0.55
PIK3R1 P27986 1/20 0.52

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
SCHEMBL15894933 0.89 PIK3CD (0.80) PIK3CDPIK3CGPIK3C2B
SCHEMBL682391 0.81 PIK3CD (1.00) PIK3CDPIK3CGPIK3C2BABL1SRC
SCHEMBL15895047 0.81 PIK3CD (0.68) PIK3CDPIK3CGPIK3C2BABL1SRC
SCHEMBL682044 0.81 PIK3CG (0.81) PIK3CDPIK3CGPIK3C2B
SCHEMBL682026 0.80 PIK3CD (1.00) PIK3CDPIK3CGPIK3C2BABL1SRC
SCHEMBL681745 0.79 PIK3CD (1.00) PIK3CDPIK3CGPIK3C2BABL1SRC
SCHEMBL16347507 0.79 PIK3CG (0.73) PIK3CDPIK3CGPIK3C2BABL1SRC
SCHEMBL680989 0.79 PIK3CG (1.00) PIK3CDPIK3CGPIK3C2B
SCHEMBL1597951 0.77 PIK3CG (0.84) PIK3CDPIK3CGPIK3C2BABL1SRC
SCHEMBL681935 0.77 PIK3CG (1.00) PIK3CDPIK3CGPIK3C2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9296742-B2 Heterocyclic kinase inhibitors INTELLIKINE LLC (US) 2016-03-29 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 PIK3CD 147/4885PIK3CG 191/4885PIK3C2B 132/4885
US-20140206685-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 PIK3CD 147/4885PIK3CG 191/4885PIK3C2B 132/4885
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 PIK3CD 147/4885PIK3CG 191/4885PIK3C2B 132/4885

“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.