SCHEMBL15029967

SCHEMBL15029967

Cc1ccc2nc(C(F)F)n(-c3cc(N4CCOC[C@H]4C)nc(NCC4CCN(C(=O)O)CC4)n3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 7/20 0.43
CD274 Q9NZQ7 7/20 0.43
PIK3CB P42338 10/20 0.40
ATR Q13535 7/20 0.38
CHEK1 O14757 5/20 0.38
ATRIP Q8WXE1 5/20 0.38
PIK3CD O00329 7/20 0.38
PIK3CA P42336 6/20 0.38
PIK3CG P48736 5/20 0.38
PIK3R1 P27986 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.36

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
SCHEMBL16308183 0.90 PDCD1 (0.40) PDCD1CD274PIK3CBATRCHEK1
SCHEMBL15029933 0.90 PIK3CB (0.45) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL17529091 0.88 PDCD1 (0.40) PDCD1CD274PIK3CBATRCHEK1
SCHEMBL16308170 0.88 PDCD1 (0.42) PDCD1CD274PIK3CBATRCHEK1
SCHEMBL16308179 0.88 PDCD1 (0.43) PDCD1CD274PIK3CBATRCHEK1
SCHEMBL15029787 0.88 PDCD1 (0.45) PDCD1CD274PIK3CBATRCHEK1
SCHEMBL16308182 0.85 PDCD1 (0.40) PDCD1CD274PIK3CBATRCHEK1
SCHEMBL15009420 0.84 PDCD1 (0.40) PDCD1CD274PIK3CBATRCHEK1
SCHEMBL15009424 0.84 PDCD1 (0.40) PDCD1CD274PIK3CBATRCHEK1
SCHEMBL16308152 0.84 PDCD1 (0.41) PDCD1CD274PIK3CBATRCHEK1

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-20130150364-A1 HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2013-06-13 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-20130150364-A1 HETEROCYCLIC COMPOUND IL2, NFATC1, ICOS PDCD1 285/4885CD274 453/4885PIK3CB 16/4885

“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.