SCHEMBL21152016

SCHEMBL21152016

COc1ccc(C#Cc2ccc(NC(=N)N)cc2N/N=N/c2ccc(C(N)N)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
TMPRSS2 O15393 1/20 0.32
FURIN P09958 1/20 0.32
AOC1 P19801 1/20 0.32
SAT1 P21673 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
APP P05067 2/20 0.30

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
SCHEMBL17469731 0.89 TMPRSS2 (0.46) MEN1NPC1RAB9AKMT2ATMPRSS2
SCHEMBL17469632 0.83 SLC16A3 (0.40) MEN1NPC1RAB9AKMT2ATMPRSS2
SCHEMBL21153028 0.74 NPC1 (0.40) ACACBMEN1NPC1RAB9AKMT2A
SCHEMBL17469629 0.68 SLC16A3 (0.43) ACACBMEN1NPC1RAB9AKMT2A
SCHEMBL19006327 0.68 ALDH1A1 (0.38) MEN1NPC1RAB9AKMT2AAPP
SCHEMBL17469670 0.68 FURIN (0.52) MEN1NPC1RAB9AKMT2ATMPRSS2
SCHEMBL1186050 0.63 NPC1 (0.59) MEN1NPC1RAB9AKMT2A
SCHEMBL22670488 0.62 TMPRSS2 (0.79) MEN1NPC1RAB9AKMT2ATMPRSS2
SCHEMBL14169148 0.62 TMPRSS2 (0.79) MEN1NPC1RAB9AKMT2ATMPRSS2
SCHEMBL22062151 0.62 NPC1 (0.71) MEN1NPC1RAB9AKMT2ATMPRSS2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190209548-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME UNIVERSITY OF MARYLAND, BALTIMORE 2019-07-11 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-20190209548-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME MCL1, DPYD, TOP2B ACACB 1269/4885MEN1 1462/4885NPC1 1776/4885

“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.