SCHEMBL4527356

SCHEMBL4527356

CC(=O)Nc1nc(CN2CCOCC2)c(-c2ccc(Cl)nc2NS(=O)(=O)c2ccccc2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 1/20 0.44
PIK3CG P48736 3/20 0.42
PIK3CA P42336 3/20 0.42
PIK3CD O00329 2/20 0.42
PIK3CB P42338 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
TSHR P16473 1/20 0.41
CLK1 P49759 1/20 0.41
PHGDH O43175 1/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MOK Q9UQ07 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
SCHEMBL4512733 0.91 PIK3CA (0.43) ALDH1A1PIK3CGPIK3CAPIK3CDPIK3CB
SCHEMBL4509798 0.84 PIK3CA (0.48) ALDH1A1KDM4EPIK3CGPIK3CAPIK3CD
SCHEMBL4517148 0.81 PIK3CA (0.46) ALDH1A1KDM4EPIK3CGPIK3CAPIK3CD
SCHEMBL4527351 0.80 PIK3CD (0.67) PIK3CGPIK3CAPIK3CDPIK3CBAKT1
SCHEMBL926624 0.80 PIK3CD (0.60) ALDH1A1KDM4EPIK3CGPIK3CAPIK3CD
SCHEMBL4523490 0.74 PIK3CD (0.50) PIK3CGPIK3CAPIK3CDPIK3CBAKT1
SCHEMBL4523499 0.72 PIK3CD (0.46) PIK3CGPIK3CAPIK3CDPIK3CBKMT2A
SCHEMBL4512724 0.71 PIK3CD (0.68) PIK3CGPIK3CAPIK3CDPIK3CBAKT1
SCHEMBL14735820 0.71 AKT1 (0.65) PIK3CGPIK3CAPIK3CDPIK3CBAKT1
SCHEMBL924648 0.70 PIK3CD (0.51) ALDH1A1KDM4EPIK3CGPIK3CAPIK3CD

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 ALDH1A1 1838/4885KDM4E 2921/4885PIK3CG 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.