SCHEMBL807823

SCHEMBL807823

CC(C)(C#N)c1ccc(-c2nnc3cnc4ccc(-c5ccc6nc(N)oc6c5)cc4n23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 16/20 0.38
PRKDC P78527 16/20 0.38
ATR Q13535 15/20 0.38
ATRIP Q8WXE1 14/20 0.38
ATM Q13315 11/20 0.38
MTOR P42345 10/20 0.36
PIK3CA P42336 4/20 0.36
PIK3CD O00329 3/20 0.36
PIK3CG P48736 2/20 0.36
PIK3C2A O00443 1/20 0.36
PIK3C2B O00750 1/20 0.36
CHEK1 O14757 1/20 0.36
ABCB11 O95342 1/20 0.36
CSF1R P07333 1/20 0.36
MET P08581 1/20 0.36
PIK3R1 P27986 1/20 0.36
LTK P29376 1/20 0.36
CDK7 P50613 1/20 0.36
NEK2 P51955 1/20 0.36
JAK3 P52333 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
SCHEMBL807986 0.90 PRKDC (0.38) PIK3CBPRKDCATRATRIPATM
SCHEMBL15131796 0.84 MTOR (0.49) PIK3CBPRKDCATRATRIPATM
SCHEMBL15131800 0.83 PIK3CB (0.42) PIK3CBPRKDCATRATRIPATM
SCHEMBL807826 0.82 PI4KA (0.45) PIK3CBPIK3CAPIK3CDPIK3CG
SCHEMBL15131797 0.82 PIK3CB (0.42) PIK3CBPRKDCATRATRIPATM
SCHEMBL15131811 0.81 MTOR (0.38) PIK3CBPRKDCATRATRIPATM
SCHEMBL15133610 0.81 PIK3CB (0.41) PIK3CBPRKDCATRATRIPATM
SCHEMBL796792 0.81 MTOR (0.38) PIK3CBPRKDCATRATRIPATM
SCHEMBL15133602 0.80 MTOR (0.39) PIK3CBPRKDCATRATRIPATM
SCHEMBL10070631 0.80 MTOR (0.38) PIK3CBPRKDCATRATRIPATM

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 PIK3CB 1750/4885PRKDC 3135/4885ATR 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.