SCHEMBL3066822

SCHEMBL3066822

N#Cc1ccc(C(=O)N2CCN(c3nc(Cc4ccc(F)cc4)ns3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 9/20 0.47
PRKAB2 O43741 3/20 0.47
PRKAG1 P54619 3/20 0.47
PRKAA1 Q13131 3/20 0.47
PRKAG3 Q9UGI9 3/20 0.47
PRKAG2 Q9UGJ0 3/20 0.47
PRKAB1 Q9Y478 3/20 0.47
SLC6A7 Q99884 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
TACR3 P29371 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
FAAH O00519 1/20 0.41

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
SCHEMBL3055093 0.89 SMN1; SMN2 (0.46) PRKAA2SLC6A7SMN1; SMN2
SCHEMBL2002975 0.87 HSP90AA1 (0.57) L3MBTL1MEN1KMT2ATACR3
SCHEMBL2009579 0.87 CNR1 (0.53) SLC6A7L3MBTL1MEN1KMT2ATACR3
SCHEMBL2007046 0.87 CNR1 (0.53) SLC6A7L3MBTL1MEN1KMT2ATACR3
SCHEMBL2008943 0.86 FAAH (0.52) SLC6A7L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL2008436 0.86 FAAH (0.52) PRKAA2SLC6A7L3MBTL1MEN1KMT2A
SCHEMBL2002840 0.84 MEN1 (0.47) L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL3066941 0.84 CNR1 (0.45) SLC6A7L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL2012084 0.83 CNR1 (0.59) L3MBTL1MEN1KMT2ATACR3SMN1; SMN2
SCHEMBL2011725 0.83 HSP90AA1 (0.53) MEN1KMT2ATACR3

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-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 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 (3 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-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 PRKAA2 3535/4885PRKAB2 1802/4885PRKAG1 2241/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 PRKAA2 3535/4885PRKAB2 1802/4885PRKAG1 2241/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 PRKAA2 3535/4885PRKAB2 1802/4885PRKAG1 2241/4885

“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.