SCHEMBL796862

SCHEMBL796862

Brc1ccc2ncc3nnc(C4CC4)n3c2c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 18/20 0.55
ATR Q13535 15/20 0.55
ATRIP Q8WXE1 15/20 0.55
PIK3CB P42338 15/20 0.55
ATM Q13315 9/20 0.55
MTOR P42345 6/20 0.54
SERPINA2 P20848 3/20 0.53
AURKA O14965 1/20 0.46
JAK2 O60674 1/20 0.46
PRKCA P17252 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
KDR P35968 1/20 0.46
FLT3 P36888 1/20 0.46
NPM1 P06748 1/20 0.42
ALK Q9UM73 1/20 0.42

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
SCHEMBL796636 0.91 PRKDC (0.50) PRKDCATRATRIPPIK3CBATM
SCHEMBL20374457 0.91 PRKDC (0.67) PRKDCATRATRIPPIK3CBATM
SCHEMBL797021 0.82 PRKDC (0.46) PRKDCATRATRIPPIK3CBATM
SCHEMBL797022 0.82 PRKDC (0.46) PRKDCATRATRIPPIK3CBATM
SCHEMBL797783 0.77 NPM1 (0.42) PRKDCATRATRIPPIK3CBATM
SCHEMBL21541782 0.74 PRKDC (0.82) PRKDCATRATRIPPIK3CBATM
SCHEMBL30359504 0.74 PRKDC (0.82) PRKDCATRATRIPPIK3CBATM
SCHEMBL29558944 0.72 PRKDC (0.52) PRKDCATRATRIPPIK3CBATM
SCHEMBL29688073 0.72 PRKDC (0.47) PRKDCATRATRIPPIK3CBATM
SCHEMBL20374536 0.72 PRKDC (0.52) 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 9 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-9181264-B2 Fused heteroaryls and their uses HUTCHISON MEDIPHARMA LIMITED (CN) 2015-11-10 US disclosed
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
US-20130190307-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2013-07-25 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
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.