SCHEMBL807986

SCHEMBL807986

CC(C)(C#N)c1ccc(-c2nnc3cnc4ccc(-c5ccc6nc(N)oc6c5)cc4n23)cn1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 18/20 0.38
PIK3CB P42338 16/20 0.38
ATR Q13535 15/20 0.38
ATRIP Q8WXE1 15/20 0.38
ATM Q13315 11/20 0.37
MTOR P42345 8/20 0.37
PIK3CA P42336 2/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CG P48736 1/20 0.36
AKT1 P31749 1/20 0.35
SERPINA2 P20848 4/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL807823 0.90 PIK3CB (0.38) PRKDCPIK3CBATRATRIPATM
SCHEMBL15131801 0.84 PIK3CB (0.41) PRKDCPIK3CBATRATRIPATM
SCHEMBL15131799 0.83 PI4KA (0.48) PIK3CBPIK3CAPIK3CDPIK3CG
SCHEMBL17243665 0.81 PIK3CA (0.42) PRKDCPIK3CBATRATRIPATM
SCHEMBL15131796 0.76 MTOR (0.49) PRKDCPIK3CBATRATRIPATM
SCHEMBL15131800 0.75 PIK3CB (0.42) PRKDCPIK3CBATRATRIPATM
SCHEMBL15133610 0.73 PIK3CB (0.41) PRKDCPIK3CBATRATRIPATM
SCHEMBL15131811 0.73 MTOR (0.38) PRKDCPIK3CBATRATRIPATM
SCHEMBL807826 0.73 PI4KA (0.45) PIK3CBPIK3CAPIK3CDPIK3CG
SCHEMBL807839 0.72 PRKDC (0.43) PRKDCPIK3CBATRATRIPATM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181264-B2 Fused heteroaryls and their uses HUTCHISON MEDIPHARMA LIMITED (CN) 2015-11-10 US disclosed
US-20130190307-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2013-07-25 US disclosed
WO-2012034526-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2012-03-22 WO 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-20130190307-A1 FUSED HETEROARYLS AND THEIR USES FARS2, TIAL1, DHFR PRKDC 3135/4885PIK3CB 1750/4885ATR 3548/4885

“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.