SCHEMBL2994975

SCHEMBL2994975

COc1cncc(-c2ccc3nc(NC(=O)NCCc4nnn(CCF)n4)sc3c2)c1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 14/20 0.68
PIK3CA P42336 11/20 0.68
ABL1 P00519 3/20 0.51
PIK3CD O00329 2/20 0.51
AKT1 P31749 1/20 0.45
MTOR P42345 1/20 0.45

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
SCHEMBL13188431 0.88 PIK3CG (0.70) PIK3CGPIK3CAABL1PIK3CD
SCHEMBL1303667 0.88 PIK3CD (0.65) PIK3CGPIK3CAABL1PIK3CD
SCHEMBL1303474 0.87 PIK3CG (0.56) PIK3CGPIK3CAABL1PIK3CDMTOR
SCHEMBL1303014 0.86 PIK3CG (0.54) PIK3CGPIK3CAABL1PIK3CD
SCHEMBL1303423 0.82 PIK3CG (0.47) PIK3CGPIK3CAABL1PIK3CD
SCHEMBL1304043 0.82 RAB9A (0.47) PIK3CGPIK3CAABL1PIK3CD
SCHEMBL1304344 0.81 PIK3CD (0.70) PIK3CGPIK3CAABL1PIK3CD
SCHEMBL13188712 0.81 PIK3CG (0.75) PIK3CGPIK3CAABL1PIK3CD
SCHEMBL13188214 0.80 PIK3CG (0.69) PIK3CGPIK3CAABL1PIK3CDAKT1
SCHEMBL13188934 0.80 PIK3CG (0.69) PIK3CGPIK3CAABL1PIK3CDAKT1

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-20100197682-A1 Organic Compounds NOVARTIS AG 2010-08-05 US claimed

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-20100197682-A1 Organic Compounds PIK3CA, PI4KA, PI4KB PIK3CG 11/4885PIK3CA 1/4885ABL1 220/4885

“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.