SCHEMBL12947751

SCHEMBL12947751

Cc1ccc(-c2c(-c3nnc[nH]3)sc(-c3ccnc(NS(C)(=O)=O)c3)c2C#N)c(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
MAPK14 Q16539 2/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
PIK3C3 Q8NEB9 2/20 0.31

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
SCHEMBL15935949 0.93 PIK3CA (0.40) PIK3CAMTORHSP90AA1HSP90AB1PIK3C3
SCHEMBL13105844 0.86 PIK3CA (0.32) PIK3CAMTOR
SCHEMBL12947582 0.85 NPC1 (0.34) PIK3CAMTORMAPK14PIK3C3
SCHEMBL12947583 0.84 PIK3CA (0.40) PIK3CAMTORPIK3C3
SCHEMBL13105449 0.84 MAPK14 (0.35) MAPK14PIK3C3
SCHEMBL12947718 0.84 DYRK1A (0.32) PIK3CAMTOR
SCHEMBL12947604 0.83 NPC1 (0.37) PIK3CAMTOR
SCHEMBL12947753 0.82 PIK3CA (0.38) PIK3CAMTORPIK3C3
SCHEMBL954626 0.81 PIK3CA (0.42) PIK3CAMTOR
SCHEMBL952919 0.79 PIK3C3 (0.40) PIK3CAMTORMAPK14PIK3C3

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-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 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-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 PIK3CA 9/4885MTOR 2/4885MAPK14 899/4885

“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.