SCHEMBL797022

SCHEMBL797022

CC(O)C(=O)N1CCC(c2nnc3cnc4ccc(Br)cc4n23)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 17/20 0.46
ATR Q13535 14/20 0.46
ATRIP Q8WXE1 14/20 0.46
PIK3CB P42338 14/20 0.46
ATM Q13315 9/20 0.46
MTOR P42345 8/20 0.44
SERPINA2 P20848 2/20 0.44
PIK3CA P42336 3/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CG P48736 1/20 0.38

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
SCHEMBL797021 1.00 PRKDC (0.46) PRKDCATRATRIPPIK3CBATM
SCHEMBL15131814 0.82 MTOR (0.36) PRKDCATRATRIPPIK3CBATM
SCHEMBL15131813 0.82 PRKDC (0.54) PRKDCATRATRIPPIK3CBATM
SCHEMBL796862 0.82 PRKDC (0.55) PRKDCATRATRIPPIK3CBATM
SCHEMBL15131816 0.81 PRKDC (0.45) PRKDCATRATRIPPIK3CBATM
SCHEMBL15131817 0.81 PRKDC (0.45) PRKDCATRATRIPPIK3CBATM
SCHEMBL796977 0.79 PRKDC (0.48) PRKDCATRATRIPPIK3CBATM
SCHEMBL15123762 0.79 PRKDC (0.48) PRKDCATRATRIPPIK3CBATM
SCHEMBL20374457 0.77 PRKDC (0.67) PRKDCATRATRIPPIK3CBATM
SCHEMBL796636 0.77 PRKDC (0.50) PRKDCATRATRIPPIK3CBATM

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 4 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
EP-2616468-A1 FUSED HETEROARYLS AND THEIR USES Hutchison Medipharma Limited (CN) 2013-07-24 EP 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 3135/4885ATR 3548/4885ATRIP 3640/4885

“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.