SCHEMBL17877912

SCHEMBL17877912

Cc1ccccc1-n1c(CN(C)c2ncnc3c2ncn3C2CCOCC2)cc2cccc(C)c2c1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.39
PIK3R1 P27986 5/20 0.38
PIK3CG P48736 3/20 0.38
PIK3CB P42338 2/20 0.38
GRM5 P41594 1/20 0.32
GRM1 Q13255 1/20 0.32
EPHB4 P54760 1/20 0.32
SLC29A1 Q99808 1/20 0.32
ABL1 P00519 1/20 0.32
SRC P12931 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
PRKDC P78527 1/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
EIF2AK3 Q9NZJ5 1/20 0.31
ALDH1A2 O94788 1/20 0.31

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
SCHEMBL934788 0.87 NPC1 (0.41) PIK3CDPIK3R1PIK3CGPIK3CBEPHB4
SCHEMBL29479403 0.87 NPC1 (0.41) PIK3CDPIK3R1PIK3CGPIK3CBEPHB4
SCHEMBL936097 0.76 PIK3R1 (0.42) PIK3CDPIK3R1PIK3CGPIK3CBABL1
SCHEMBL17807064 0.72 PIK3CD (0.35) PIK3CDPIK3CGEPHB4ALDH1A1
SCHEMBL23287750 0.72 PIK3CD (0.48) PIK3CDPIK3R1PIK3CGPIK3CBEPHB4
SCHEMBL19618188 0.72 PIK3CD (0.46) PIK3CDPIK3R1PIK3CGPIK3CBEPHB4
SCHEMBL936036 0.71 NPC1 (0.52) PIK3CDPIK3R1PIK3CGPIK3CBEPHB4
SCHEMBL9884248 0.68 PIK3R1 (0.41) PIK3CDPIK3R1PIK3CGPIK3CBABL1
SCHEMBL936038 0.68 PIK3CD (0.71) PIK3CDPIK3R1PIK3CGPIK3CB
SCHEMBL19112155 0.68 POLB (0.53) SLC29A1SRCALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9822131-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2017-11-21 US disclosed
US-9822131-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2017-11-21 US disclosed
US-20160185800-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2016-06-30 US disclosed
US-20160185800-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2016-06-30 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 (1 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-20160185800-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A PIK3CD 7/4885PIK3R1 41/4885PIK3CG 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.