SCHEMBL2109452

SCHEMBL2109452

CC(=O)OCCn1c(CN2CCC(C(C)(C)O)CC2)nc2c(N3CCOCC3)nc(Cl)nc21

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.47
PIK3CG P48736 2/20 0.47
PIK3CB P42338 2/20 0.47
HDAC1 Q13547 1/20 0.38
PIK3CA P42336 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
SCHEMBL3423423 0.87 PIK3CD (0.53) PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL2109555 0.83 PIK3CD (0.63) PIK3CDPIK3CGPIK3CBHDAC1PIK3CA
SCHEMBL1113901 0.82 MTOR (0.49) PIK3CDHDAC1PIK3CA
SCHEMBL2674766 0.79 PIK3CD (0.52) PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL2112274 0.77 PIK3CD (0.51) PIK3CDPIK3CGPIK3CBHDAC1PIK3CA
SCHEMBL2673822 0.77 PIK3CD (0.53) PIK3CDPIK3CGPIK3CBHDAC1PIK3CA
SCHEMBL2673785 0.76 PIK3CD (0.53) PIK3CDPIK3CGPIK3CBHDAC1PIK3CA
SCHEMBL2398401 0.75 KDM4E (0.43) HDAC1
SCHEMBL2673356 0.75 PIK3CD (0.54) PIK3CDPIK3CGPIK3CBHDAC1PIK3CA
SCHEMBL2674796 0.75 PIK3CD (0.51) PIK3CDPIK3CGPIK3CBHDAC1PIK3CA

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
EP-2451811-A1 BICYCLIC INDOLE-PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2012-05-16 EP disclosed
US-8158625-B2 Bicyclic indole-pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-04-17 US disclosed
US-8158625-B2 Bicyclic indole-pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-04-17 US disclosed
WO-2010136491-A1 BICYCLIC INDOLE-PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2010-12-02 WO disclosed
US-20100305084-A1 BICYCLIC INDOLE-PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE HOFFMAN-LA ROCHE INC. 2010-12-02 US disclosed
US-20100305084-A1 BICYCLIC INDOLE-PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE HOFFMAN-LA ROCHE INC. 2010-12-02 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-20100305084-A1 BICYCLIC INDOLE-PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PI4K2B, PIK3CA, PIK3R2 PIK3CD 4/4885PIK3CG 17/4885PIK3CB 18/4885

“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.