SCHEMBL7933342

SCHEMBL7933342

O=C(CS)Nc1nc2ccc(F)cc2s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.68
DYRK1A Q13627 1/20 0.68
LRRK2 Q5S007 2/20 0.62
WNT3A P56704 2/20 0.62
CSNK1D P48730 1/20 0.61
PAX8 Q06710 1/20 0.61
PTPN1 P18031 1/20 0.60
CLK1 P49759 2/20 0.58
GFER P55789 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
KMT2A Q03164 3/20 0.58
KDM4E B2RXH2 2/20 0.58
MAPT P10636 2/20 0.58
PKM P14618 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
HTT P42858 2/20 0.58
NFKB1 P19838 1/20 0.58

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
SCHEMBL8348837 0.86 PDPK1 (0.68) PDPK1DYRK1ALRRK2WNT3ACSNK1D
SCHEMBL17251987 0.86 PDPK1 (0.68) PDPK1DYRK1ALRRK2WNT3ACSNK1D
SCHEMBL30522062 0.86 PDPK1 (0.68) PDPK1DYRK1ALRRK2WNT3ACSNK1D
SCHEMBL17776540 0.86 PDPK1 (0.72) PDPK1DYRK1ALRRK2WNT3ACSNK1D
SCHEMBL10936004 0.85 DYRK1A (0.75) PDPK1DYRK1ALRRK2WNT3ACSNK1D
SCHEMBL7923452 0.83 DYRK1A (0.68) DYRK1ACSNK1DPTPN1CLK1NPC1
SCHEMBL7930375 0.83 RAB9A (0.68) DYRK1ACSNK1DCLK1NPC1RAB9A
SCHEMBL7924717 0.83 RAB9A (0.72) DYRK1ACSNK1DPTPN1CLK1L3MBTL1
SCHEMBL8354539 0.83 PDPK1 (0.64) PDPK1DYRK1ALRRK2WNT3ACSNK1D
SCHEMBL9333330 0.83 SMN1; SMN2 (0.75) PDPK1DYRK1ALRRK2WNT3ACSNK1D

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-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT ABSOLUTE SCIENCE, INC. (US) 2011-08-04 US disclosed
US-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-10 US disclosed
WO-2010033360-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT 1/3 ABSOLUTE SCIENCE, INC. (US) 2010-03-25 WO disclosed
WO-2009045761-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES ABSOLUTE SCIENCE, INC. (US) 2009-04-09 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 (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-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES MMP7, MMP3, MMP9 PDPK1 4685/4885DYRK1A 4808/4885LRRK2 4566/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 PDPK1 4633/4885DYRK1A 1913/4885LRRK2 4289/4885

“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.