SCHEMBL2505935

SCHEMBL2505935

CC(NC(=O)OCc1ccccc1)c1nc2ncccn2c1I

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
TOP2A P11388 2/20 0.41
TOP2B Q02880 2/20 0.41
CTSK P43235 2/20 0.40
ELANE P08246 2/20 0.40
CASP1 P29466 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39

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
SCHEMBL13151051 1.00 ATM (0.49) ATMTOP2ATOP2BCTSKELANE
SCHEMBL14639759 0.87 ATM (0.48) ATMCTSKELANECASP1CTSL
SCHEMBL12196877 0.85 ATM (0.47) ATMTOP2ATOP2BCTSKCASP1
SCHEMBL2509456 0.85 ATM (0.47) ATMTOP2ATOP2BCTSKCASP1
SCHEMBL13150931 0.84 ATM (0.52) ATMTOP2ATOP2BCTSKELANE
SCHEMBL2506969 0.81 ATM (0.48) ATMTOP2ATOP2BCTSKELANE
SCHEMBL2505646 0.77 ATM (0.51) ATMCTSKCASP1CTSLCTSB
SCHEMBL13151029 0.77 ATM (0.51) ATMCTSKCASP1CTSLCTSB
SCHEMBL2557387 0.77 ATM (0.48) ATMTOP2ATOP2BCTSKELANE
SCHEMBL14672525 0.76 LMNA (0.45)

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-8575183-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-05 US disclosed
EP-2552908-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2013-02-06 EP disclosed
WO-2011123751-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 WO disclosed
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 US 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-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 ATM 750/4885TOP2A 270/4885TOP2B 359/4885

“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.