SCHEMBL2675347

SCHEMBL2675347

Cn1c(CN2CCN3CCCC3C2)nc2c(N3CCOCC3)nc(Cl)nc21

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.45
PIK3CD O00329 14/20 0.44
HRH3 Q9Y5N1 3/20 0.44
PIK3CG P48736 1/20 0.42
PIK3CB P42338 1/20 0.41
PIK3CA P42336 1/20 0.38

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
SCHEMBL2673345 0.91 HDAC1 (0.47) HDAC1PIK3CDHRH3PIK3CGPIK3CB
SCHEMBL2397240 0.89 HRH3 (0.41) HDAC1PIK3CDHRH3PIK3CBPIK3CA
SCHEMBL2674843 0.88 HRH3 (0.46) HDAC1PIK3CDHRH3PIK3CGPIK3CB
SCHEMBL2673736 0.88 HDAC1 (0.47) HDAC1PIK3CDHRH3PIK3CGPIK3CB
SCHEMBL2111091 0.85 HRH3 (0.52) HDAC1PIK3CDHRH3PIK3CGPIK3CB
SCHEMBL2674053 0.82 HDAC1 (0.46) HDAC1PIK3CDHRH3PIK3CGPIK3CB
SCHEMBL2674432 0.81 HRH3 (0.48) HDAC1PIK3CDHRH3PIK3CGPIK3CB
SCHEMBL2673699 0.81 PIK3CD (0.60) HDAC1PIK3CDHRH3PIK3CGPIK3CB
SCHEMBL2673725 0.81 HDAC1 (0.49) HDAC1PIK3CDHRH3PIK3CGPIK3CB
SCHEMBL2673222 0.80 HDAC1 (0.49) HDAC1PIK3CDHRH3PIK3CGPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394796-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2013-03-12 US disclosed
US-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE CASTANEDO GEORGETTE (US) 2012-07-12 US disclosed
US-8173650-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-05-08 US disclosed
WO-2010138589-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. (US) 2010-12-02 WO disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, 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 (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-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD HDAC1 2190/4885PIK3CD 3/4885HRH3 1180/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD HDAC1 2194/4885PIK3CD 3/4885HRH3 1195/4885

“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.