SCHEMBL935080

SCHEMBL935080

COc1cc2nc(C#N)sc2cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 6/20 0.47
GSK3B P49841 1/20 0.47
MAP4K2 Q12851 1/20 0.47
PSMB8 P28062 2/20 0.42
SRC P12931 8/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
ALOX15 P16050 1/20 0.39
ATM Q13315 1/20 0.39
HSP90AA1 P07900 2/20 0.38
HSP90AB1 P08238 2/20 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
SCHEMBL12312873 0.94 PGK1 (0.47) PGK1GSK3BMAP4K2PSMB8SRC
SCHEMBL10401282 0.87 STING1 (0.44) PGK1ALOX15ATM
SCHEMBL21663984 0.83 ALOX15 (0.43) PGK1PSMB8SRCNPC1RAB9A
SCHEMBL21688901 0.82 ALOX15 (0.39) PGK1NPC1RAB9AKMT2AALOX15
SCHEMBL12908841 0.80 PSMB8 (0.45) PGK1PSMB8NPC1RAB9AKMT2A
SCHEMBL12312875 0.79 ILK (0.47) ALOX15ATM
SCHEMBL935534 0.76 PSMB8 (0.45) PGK1PSMB8
SCHEMBL21091211 0.76 CYP3A4 (0.53) PGK1GSK3BMAP4K2NPC1RAB9A
SCHEMBL9796864 0.76 PSMB8 (0.44) GSK3BPSMB8NPC1RAB9AKMT2A
SCHEMBL935523 0.75 CTSS (0.40) ALOX15ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454329-B1 FLUORESCENT DYES AND USES THEREOF BECKMAN COULTER INC (US) 2018-04-18 EP disclosed
EP-2454329-B1 FLUORESCENT DYES AND USES THEREOF BECKMAN COULTER INC (US) 2018-04-18 EP disclosed
US-8772501-B2 Fluorescent dyes and uses thereof BECKMAN COULTER, INC. (US) 2014-07-08 US disclosed
US-8772501-B2 Fluorescent dyes and uses thereof BECKMAN COULTER, INC. (US) 2014-07-08 US disclosed
US-20130131324-A1 Novel Fluorescent Dyes and Uses Thereof BECKMAN COULTER, INC. (US) 2013-05-23 US disclosed
US-20130131324-A1 Novel Fluorescent Dyes and Uses Thereof BECKMAN COULTER, INC. (US) 2013-05-23 US disclosed
US-8367842-B2 Fluorescent dyes and uses thereof BECKMAN COULTER, INC. (US) 2013-02-05 US disclosed
US-8367842-B2 Fluorescent dyes and uses thereof BECKMAN COULTER, INC. (US) 2013-02-05 US disclosed
EP-2454329-A1 NOVEL FLUORESCENT DYES AND USES THEREOF Beckman Coulter, Inc. (US) 2012-05-23 EP disclosed
US-20110014599-A1 Novel Fluorescent Dyes and Uses Thereof BECKMAN COULTER, INC. (US) 2011-01-20 US disclosed
WO-2011008912-A1 NOVEL FLUORESCENT DYES AND USES THEREOF BECKMAN COULTER, INC. (US) 2011-01-20 WO disclosed
WO-2011008912-A1 NOVEL FLUORESCENT DYES AND USES THEREOF BECKMAN COULTER, INC. (US) 2011-01-20 WO disclosed
US-20110014599-A1 Novel Fluorescent Dyes and Uses Thereof BECKMAN COULTER, INC. (US) 2011-01-20 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 (2 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-20130131324-A1 Novel Fluorescent Dyes and Uses Thereof GUSB, CHLSN, NQO1 PGK1 4522/4885GSK3B 3604/4885MAP4K2 4611/4885
US-20110014599-A1 Novel Fluorescent Dyes and Uses Thereof GUSB, CHLSN, NQO1 PGK1 4522/4885GSK3B 3604/4885MAP4K2 4611/4885

“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.