SCHEMBL2109797

SCHEMBL2109797

CN(C)C1CCN(Cc2nc3c(N4CCOCC4)nc(Cl)nc3n2C)CC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 0.49
PIK3CG P48736 1/20 0.49
HDAC1 Q13547 1/20 0.49
PIK3CB P42338 1/20 0.45
PIK3CA P42336 2/20 0.40

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
SCHEMBL2395837 0.88 PIK3CD (0.46) PIK3CDPIK3CGHDAC1PIK3CBPIK3CA
SCHEMBL2111091 0.86 HRH3 (0.52) PIK3CDPIK3CGHDAC1PIK3CBPIK3CA
SCHEMBL2673572 0.85 PIK3CD (0.47) PIK3CDPIK3CGHDAC1PIK3CBPIK3CA
SCHEMBL2673785 0.85 PIK3CD (0.53) PIK3CDPIK3CGHDAC1PIK3CBPIK3CA
SCHEMBL2676426 0.84 PIK3CD (0.46) PIK3CDPIK3CGHDAC1PIK3CBPIK3CA
SCHEMBL2676408 0.84 PIK3CD (0.46) PIK3CDPIK3CGHDAC1PIK3CBPIK3CA
SCHEMBL2109555 0.84 PIK3CD (0.63) PIK3CDPIK3CGHDAC1PIK3CBPIK3CA
SCHEMBL2674843 0.83 HRH3 (0.46) PIK3CDPIK3CGHDAC1PIK3CBPIK3CA
SCHEMBL2394343 0.83 HDAC1 (0.39) PIK3CDPIK3CGHDAC1
SCHEMBL2673345 0.82 HDAC1 (0.47) PIK3CDPIK3CGHDAC1PIK3CBPIK3CA

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 8 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
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
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 17/4885HDAC1 2098/4885

“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.