SCHEMBL1749439

SCHEMBL1749439

CCOC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2C1CCC(NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 15/20 0.55
PIK3CG P48736 15/20 0.55
PIK3CD O00329 15/20 0.55
PIK3CA P42336 14/20 0.55
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
CSNK1D P48730 1/20 0.38
MCL1 Q07820 1/20 0.36
RET P07949 1/20 0.36

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
SCHEMBL1749438 1.00 PIK3CB (0.55) PIK3CBPIK3CGPIK3CDPIK3CACKS1B
SCHEMBL1750563 0.89 PIK3CB (0.70) PIK3CBPIK3CGPIK3CDPIK3CA
SCHEMBL4056572 0.87 PIK3CB (0.57) PIK3CBPIK3CGPIK3CDPIK3CACSNK1D
SCHEMBL1749641 0.78 BTK (0.41) CKS1BSKP1SKP2CSNK1D
SCHEMBL1749640 0.78 BTK (0.41) CKS1BSKP1SKP2CSNK1D
SCHEMBL4375798 0.78 BTK (0.39) CKS1BSKP1SKP2CSNK1D
SCHEMBL1749660 0.76 PIK3CA (0.66) PIK3CBPIK3CGPIK3CDPIK3CA
SCHEMBL300841 0.74 PIK3CB (0.80) PIK3CBPIK3CGPIK3CDPIK3CA
SCHEMBL301214 0.74 PIK3CB (0.80) PIK3CBPIK3CGPIK3CDPIK3CA
SCHEMBL300966 0.73 PIK3CB (0.76) PIK3CBPIK3CGPIK3CDPIK3CA

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-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
EP-2078018-A1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS Signal Pharmaceuticals LLC (US) 2009-07-15 EP disclosed
US-20090042890-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-02-12 US disclosed
WO-2008051494-A1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 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 (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 PIK3CB 267/4885PIK3CG 821/4885PIK3CD 649/4885
US-20090042890-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, CHEK2, SRC PIK3CB 267/4885PIK3CG 780/4885PIK3CD 569/4885

“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.