SCHEMBL682020

SCHEMBL682020

Cn1c(=O)c(Cn2nc(I)c3c(N)ncnc32)cc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.68
PIK3CG P48736 8/20 0.65
PIK3C2B O00750 3/20 0.42
PRKDC P78527 3/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CB P42338 2/20 0.41
LCK P06239 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
SCHEMBL681863 0.82 PIK3CD (0.54) PIK3CDPIK3CGPIK3C2BPRKDCPIK3CA
SCHEMBL682391 0.81 PIK3CD (1.00) PIK3CDPIK3CGPIK3C2BPRKDCPIK3CA
SCHEMBL681739 0.79 PIK3CG (1.00) PIK3CDPIK3CGPIK3C2B
SCHEMBL15895047 0.78 PIK3CD (0.68) PIK3CDPIK3CGPIK3C2BPRKDCPIK3CA
SCHEMBL9884173 0.76 PIK3CG (0.54) PIK3CDPIK3CGPRKDCPIK3CAPIK3CB
SCHEMBL681085 0.76 PIK3CG (0.69) PIK3CDPIK3CGPIK3C2BPRKDCPIK3CA
SCHEMBL681698 0.74 PIK3CD (1.00) PIK3CDPIK3CGPIK3C2BPIK3CAPIK3CB
SCHEMBL15892708 0.73 PIK3CD (0.52) PIK3CDPIK3CGPIK3C2BPRKDCPIK3CA
SCHEMBL681818 0.73 PIK3CG (1.00) PIK3CDPIK3CGPIK3C2B
SCHEMBL9924631 0.73 PIK3CG (0.49) PIK3CDPIK3CGPRKDCPIK3CAPIK3CB

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 10 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
US-9790228-B2 Heterocyclic kinase inhibitors INTELLIKINE LLC (US) 2017-10-17 US 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-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
WO-2010036380-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE, INC. (US) 2010-04-01 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 (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.