SCHEMBL10125513

SCHEMBL10125513

CC(N[C@H]1CC[C@H](CNc2nc(N3CCOC[C@@H]3C)cc(-n3c(C(F)F)nc4ccccc43)n2)CC1)C(C)(C)O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 5/20 0.48
CD274 Q9NZQ7 5/20 0.48
ATR Q13535 4/20 0.43
CHEK1 O14757 3/20 0.43
ATRIP Q8WXE1 3/20 0.43
PIK3CB P42338 13/20 0.42
PIK3CD O00329 8/20 0.41
PIK3CA P42336 6/20 0.41
PIK3CG P48736 6/20 0.41

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
SCHEMBL10125514 1.00 PDCD1 (0.48) PDCD1CD274ATRCHEK1ATRIP
SCHEMBL10125343 0.90 PIK3CB (0.54) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL10153952 0.90 PDCD1 (0.49) PDCD1CD274ATRCHEK1ATRIP
SCHEMBL9950095 0.89 PDCD1 (0.49) PDCD1CD274ATRCHEK1ATRIP
SCHEMBL10125225 0.89 PDCD1 (0.49) PDCD1CD274ATRCHEK1ATRIP
SCHEMBL9950090 0.89 PDCD1 (0.49) PDCD1CD274ATRCHEK1ATRIP
SCHEMBL13247962 0.88 PDCD1 (0.53) PDCD1CD274ATRCHEK1ATRIP
SCHEMBL10125222 0.88 PDCD1 (0.53) PDCD1CD274ATRCHEK1ATRIP
SCHEMBL9951135 0.87 PDCD1 (0.47) PDCD1CD274ATRCHEK1ATRIP
SCHEMBL9949986 0.87 PDCD1 (0.47) PDCD1CD274ATRCHEK1ATRIP

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-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 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-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA PDCD1 403/4885CD274 893/4885ATR 2348/4885

“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.