SCHEMBL9607774

SCHEMBL9607774

C=Cn1cnc2c(N3CCOCC3)nc(-c3cnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc3)nc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.46
MTOR P42345 6/20 0.46
HDAC1 Q13547 15/20 0.45
PIK3R1 P27986 9/20 0.45
PIK3CD O00329 5/20 0.45
PIK3CB P42338 4/20 0.45
PIK3CG P48736 4/20 0.45
HDAC3 O15379 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
NCOR2 Q9Y618 2/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 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
SCHEMBL14960380 0.86 MTOR (0.55) PIK3CAMTORHDAC1PIK3R1PIK3CD
SCHEMBL1114005 0.86 MTOR (0.51) PIK3CAMTORHDAC1PIK3R1PIK3CD
SCHEMBL799551 0.86 MTOR (0.51) PIK3CAMTORHDAC1PIK3R1PIK3CD
SCHEMBL799437 0.85 MTOR (0.51) PIK3CAMTORHDAC1PIK3R1PIK3CD
SCHEMBL1114284 0.84 HDAC1 (0.52) PIK3CAMTORHDAC1PIK3R1PIK3CD
SCHEMBL799510 0.84 MTOR (0.52) PIK3CAMTORHDAC1PIK3R1PIK3CD
SCHEMBL1114167 0.83 HDAC1 (0.56) PIK3CAMTORHDAC1PIK3R1PIK3CD
SCHEMBL799241 0.82 MTOR (0.49) PIK3CAMTORHDAC1PIK3R1PIK3CD
SCHEMBL9605491 0.81 MTOR (0.45) PIK3CAMTORHDAC1PIK3R1PIK3CD
SCHEMBL1114353 0.81 MTOR (0.48) PIK3CAMTORHDAC1PIK3R1PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135988-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE CASTANEDO GEORGETTE (US) 2012-05-31 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-20120135988-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CG PIK3CA 1/4885MTOR 75/4885HDAC1 3176/4885

“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.