SCHEMBL6525675

SCHEMBL6525675

CC(C)S(=O)(=O)C1(c2cc(N3CCOC[C@H]3C)nc(Cl)n2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 11/20 0.43
PIK3CA P42336 11/20 0.43
ATR Q13535 9/20 0.41
ATRIP Q8WXE1 3/20 0.41
TAF1 P21675 2/20 0.39
MTOR P42345 1/20 0.39
PRKDC P78527 1/20 0.39

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
SCHEMBL6525673 1.00 PIK3R1 (0.43) PIK3R1PIK3CAATRATRIPTAF1
SCHEMBL4210198 0.91 ATR (0.51) PIK3R1PIK3CAATRATRIPTAF1
SCHEMBL2489969 0.91 ATR (0.51) PIK3R1PIK3CAATRATRIPTAF1
SCHEMBL6520863 0.91 ATR (0.51) PIK3R1PIK3CAATRATRIPTAF1
SCHEMBL2492774 0.89 PIK3R1 (0.44) PIK3R1PIK3CAATRATRIPTAF1
SCHEMBL6524143 0.89 PIK3R1 (0.44) PIK3R1PIK3CAATRATRIPTAF1
SCHEMBL2488174 0.89 ATR (0.44) PIK3R1PIK3CAATRATRIPTAF1
SCHEMBL2488472 0.88 PIK3CA (0.47) PIK3R1PIK3CAATRATRIPTAF1
SCHEMBL2488469 0.88 PIK3CA (0.47) PIK3R1PIK3CAATRATRIPTAF1
SCHEMBL2487547 0.88 PIK3CA (0.47) PIK3R1PIK3CAATRATRIPTAF1

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-20110053923-A1 CHEMICAL COMPOUNDS 610 ASTRAZENECA (SE) 2011-03-03 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-20110053923-A1 CHEMICAL COMPOUNDS 610 ABCG2, CYP3A7, CYP2C19 PIK3R1 3446/4885PIK3CA 1564/4885ATR 2253/4885

“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.