SCHEMBL4517148

SCHEMBL4517148

CC(=O)Nc1nc(CC#N)c(-c2ccc(Cl)nc2NS(=O)(=O)c2ccccc2)s1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.46
PIK3CD O00329 9/20 0.46
PIK3CG P48736 9/20 0.46
PIK3CB P42338 8/20 0.46
GAA P10253 5/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
AKT1 P31749 1/20 0.41
MAPT P10636 4/20 0.39
RXFP1 Q9HBX9 1/20 0.39
POLB P06746 1/20 0.39
GFER P55789 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
USP2 O75604 1/20 0.38
KDM4E B2RXH2 2/20 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
SCHEMBL4509798 0.88 PIK3CA (0.48) PIK3CAPIK3CDPIK3CGPIK3CBGAA
SCHEMBL926624 0.84 PIK3CD (0.60) PIK3CAPIK3CDPIK3CGPIK3CBGAA
SCHEMBL4512733 0.82 PIK3CA (0.43) PIK3CAPIK3CDPIK3CGPIK3CBGAA
SCHEMBL4527356 0.81 ALDH1A1 (0.47) PIK3CAPIK3CDPIK3CGPIK3CBGAA
SCHEMBL4517140 0.78 PIK3CD (0.73) PIK3CAPIK3CDPIK3CGPIK3CBAKT1
SCHEMBL14735820 0.75 AKT1 (0.65) PIK3CAPIK3CDPIK3CGPIK3CBAKT1
SCHEMBL924648 0.74 PIK3CD (0.51) PIK3CAPIK3CDPIK3CGPIK3CBGAA
SCHEMBL927226 0.71 PIK3CD (0.50) PIK3CAPIK3CDPIK3CGPIK3CBGAA
SCHEMBL927079 0.71 CSNK1D (0.51) PIK3CAPIK3CDPIK3CGPIK3CBGAA
SCHEMBL925778 0.71 PKM (0.51) PIK3CAPIK3CDPIK3CGPIK3CBGAA

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-20090076009-A1 THIAZOLE DERIVATIVES AND THEIR USE AS ANTI-TUMOUR AGENTS ASTRAZENECA AB (SE) 2009-03-19 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-20090076009-A1 THIAZOLE DERIVATIVES AND THEIR USE AS ANTI-TUMOUR AGENTS MTOR, RPTOR, JAK2 PIK3CA 13/4885PIK3CD 31/4885PIK3CG 77/4885

“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.