SCHEMBL681863

SCHEMBL681863

Cn1c(=O)c(Cn2nc(I)c3c(N)ncnc32)nc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.54
PIK3CG P48736 8/20 0.51
HDAC6 Q9UBN7 1/20 0.42
MAPT P10636 1/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CB P42338 2/20 0.39
PIK3C2B O00750 1/20 0.39
ABL1 P00519 1/20 0.38
SRC P12931 1/20 0.38
MTOR P42345 1/20 0.38
PRKDC P78527 1/20 0.38
AKR1B1 P15121 1/20 0.38

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
SCHEMBL15892708 0.88 PIK3CD (0.52) PIK3CDPIK3CGPIK3CAPIK3CBPIK3C2B
SCHEMBL681093 0.82 PIK3CD (0.49) PIK3CDPIK3CGPIK3CAPIK3CBABL1
SCHEMBL682020 0.82 PIK3CD (0.68) PIK3CDPIK3CGPIK3CAPIK3CBPIK3C2B
SCHEMBL682033 0.79 PIK3CG (0.75) PIK3CDPIK3CGPIK3CAPIK3CBPIK3C2B
SCHEMBL682016 0.78 PIK3CG (0.53) PIK3CDPIK3CGPIK3CAPIK3CBPIK3C2B
SCHEMBL15895177 0.78 PIK3CG (0.49) PIK3CDPIK3CGMAPTPIK3CAPIK3CB
SCHEMBL11901843 0.75 PIK3CG (0.50) PIK3CDPIK3CGPIK3CAPIK3CBABL1
SCHEMBL681842 0.74 PIK3CG (0.67) PIK3CDPIK3CGMAPTPIK3C2B
SCHEMBL794886 0.74 PIK3CG (0.75) PIK3CDPIK3CGPIK3C2B
SCHEMBL788927 0.73 PIK3CG (0.64) PIK3CDPIK3CGPIK3CAPIK3CBPIK3C2B

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 5 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-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 (2 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 191/4885HDAC6 1331/4885
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 PIK3CD 147/4885PIK3CG 191/4885HDAC6 1331/4885

“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.