SCHEMBL1568614

SCHEMBL1568614

CNC(=O)Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.56
HDAC3 O15379 11/20 0.54
HDAC4 P56524 11/20 0.54
HDAC1 Q13547 11/20 0.54
HDAC7 Q8WUI4 11/20 0.54
HDAC2 Q92769 11/20 0.54
HDAC10 Q969S8 11/20 0.54
HDAC11 Q96DB2 11/20 0.54
HDAC8 Q9BY41 11/20 0.54
HDAC6 Q9UBN7 11/20 0.54
HDAC9 Q9UKV0 11/20 0.54
HDAC5 Q9UQL6 11/20 0.54
MTOR P42345 1/20 0.54
PIK3R1 P27986 1/20 0.50

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
SCHEMBL12910283 0.91 HDAC3 (0.57) PIK3CAHDAC3HDAC4HDAC1HDAC7
SCHEMBL12910286 0.89 PIK3CA (0.52) PIK3CAHDAC3HDAC4HDAC1HDAC7
SCHEMBL12910292 0.89 PIK3CA (0.53) PIK3CAHDAC3HDAC4HDAC1HDAC7
SCHEMBL12910282 0.87 PIK3CA (0.56) PIK3CAHDAC3HDAC4HDAC1HDAC7
SCHEMBL12537228 0.87 HDAC3 (0.58) PIK3CAHDAC3HDAC4HDAC1HDAC7
SCHEMBL944931 0.86 PIK3CA (0.54) PIK3CAHDAC3HDAC4HDAC1HDAC7
SCHEMBL945723 0.86 PIK3CA (0.54) PIK3CAHDAC3HDAC4HDAC1HDAC7
SCHEMBL12910276 0.85 PIK3CA (0.52) PIK3CAHDAC3HDAC4HDAC1HDAC7
SCHEMBL1114143 0.84 PIK3CA (0.59) PIK3CAHDAC3HDAC4HDAC1HDAC7
SCHEMBL12910255 0.83 PIK3CA (0.57) PIK3CAHDAC3HDAC4HDAC1HDAC7

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
US-8513221-B2 PI3K isoform selective inhibitors Xcovery Holding, LLC (US) 2013-08-20 US disclosed
US-8513221-B2 PI3K isoform selective inhibitors Xcovery Holding, LLC (US) 2013-08-20 US disclosed
US-8513221-B2 PI3K isoform selective inhibitors Xcovery Holding, LLC (US) 2013-08-20 US disclosed
US-20110130395-A1 P13K ISOFORM SELECTIVE INHIBITORS XCOVERY HOLDING COMPANY LLC 2011-06-02 US disclosed
US-20110130395-A1 P13K ISOFORM SELECTIVE INHIBITORS XCOVERY HOLDING COMPANY LLC 2011-06-02 US disclosed
US-20110130395-A1 P13K ISOFORM SELECTIVE INHIBITORS XCOVERY HOLDING COMPANY LLC 2011-06-02 US disclosed
EP-2307414-A2 PI3K ISOFORM SELECTIVE INHIBITORS Xcovery Holding Company LLC (US) 2011-04-13 EP disclosed
WO-2010005558-A2 PI3K ISOFORM SELECTIVE INHIBITORS XCOVERY, INC. (US) 2010-01-14 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 (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-20110130395-A1 P13K ISOFORM SELECTIVE INHIBITORS PI4KA, PIK3CA, PIKFYVE PIK3CA 2/4885HDAC3 1801/4885HDAC4 2883/4885

“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.