SCHEMBL797783

SCHEMBL797783

Cc1nnc2cnc3ccc(Br)cc3n12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPM1 P06748 1/20 0.42
ALK Q9UM73 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PBRM1 Q86U86 1/20 0.38
PRKDC P78527 9/20 0.38
ATR Q13535 9/20 0.38
ATRIP Q8WXE1 9/20 0.38
PIK3CB P42338 8/20 0.38
ATM Q13315 5/20 0.38
PDE2A O00408 3/20 0.38
PDE10A Q9Y233 1/20 0.38
BRD4 O60885 1/20 0.36
GAA P10253 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MTOR P42345 5/20 0.35
SERPINA2 P20848 4/20 0.35
LMNA P02545 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
SCHEMBL14054039 0.78 PDE2A (0.45) PRKDCPIK3CBPDE2APDE10ABRD4
SCHEMBL11713077 0.77 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1PBRM1PDE2ABRD4
SCHEMBL796862 0.77 PRKDC (0.55) NPM1ALKPRKDCATRATRIP
Hydrochloric Acid SCHEMBL12502557 0.76 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1PBRM1PDE2ABRD4
SCHEMBL9037537 0.74 BRD4 (0.37) SMN1; SMN2L3MBTL1PBRM1PRKDCATR
SCHEMBL796792 0.73 MTOR (0.38) ALKPRKDCATRATRIPPIK3CB
SCHEMBL21541863 0.73 SIGMAR1 (0.38) NPM1ALKPRKDCATRATRIP
SCHEMBL21541858 0.73 PRKDC (0.37) NPM1ALKPRKDCATRATRIP
SCHEMBL20374559 0.73 PRKDC (0.37) NPM1ALKPRKDCATRATRIP
SCHEMBL30359498 0.73 SIGMAR1 (0.38) NPM1ALKPRKDCATRATRIP

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 NPM1 509/4885ALK 164/4885SMN1; SMN2 3557/4885

“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.