SCHEMBL1750367

SCHEMBL1750367

CC(C)n1c(=O)[nH]c2c(C(=O)O)nc(-c3cccc(O)c3)nc21

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.58
PIK3CB P42338 14/20 0.58
PIK3CG P48736 14/20 0.58
PIK3CA P42336 13/20 0.58
CSNK2A1 P68400 5/20 0.48

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
SCHEMBL296157 0.90 PIK3CD (0.70) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL1750491 0.83 PIK3CD (0.53) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL28821909 0.81 PIK3CD (0.48) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL28299587 0.80 PIK3CD (0.47) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL28782653 0.78 CSNK2A1 (0.74) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL300868 0.75 PIK3CD (0.71) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL297655 0.73 PIK3CD (0.64) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL300821 0.72 PIK3CD (0.65) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL29793901 0.72 PIK3CD (0.65) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL11939631 0.71 PIK3CD (0.82) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1

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-8383634-B2 Methods of treatment using heteroaryl compounds and compositions thereof SIGNAL PHARMACEUTICALS, LLC (US) 2013-02-26 US disclosed
US-20110224217-A1 METHODS OF TREATMENT USING HETEROARYL COMPOUNDS AND COMPOSITIONS THEREOF SIGNAL PHARMACEUTICALS, LLC 2011-09-15 US disclosed
US-7968556-B2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2011-06-28 US disclosed
US-20090042890-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-02-12 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-20110224217-A1 METHODS OF TREATMENT USING HETEROARYL COMPOUNDS AND COMPOSITIONS THEREOF JAK2, CHEK2, PHKG1 PIK3CD 649/4885PIK3CB 267/4885PIK3CG 821/4885
US-20090042890-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, CHEK2, SRC PIK3CD 569/4885PIK3CB 267/4885PIK3CG 780/4885

“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.