SCHEMBL6404036

SCHEMBL6404036

O=C(O)CSc1nnc(-c2ccc(Cl)c(Cl)c2)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 6/20 0.49
PRKAB1 Q9Y478 6/20 0.49
PRKAA2 P54646 3/20 0.49
STK17B O94768 1/20 0.46
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PRKAA1 Q13131 3/20 0.42
RPA1 P27694 1/20 0.42
HRH1 P35367 1/20 0.42
TYMP P19971 2/20 0.41
SLC22A12 Q96S37 1/20 0.40
GRK6 P43250 2/20 0.40
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMO O15229 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 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
SCHEMBL17214740 0.87 PRKAG1 (0.43) PRKAG1PRKAB1PRKAA2STK17BRAB9A
SCHEMBL19425608 0.85 TYMP (0.57) PRKAG1PRKAB1PRKAA2STK17BRAB9A
SCHEMBL14907852 0.82 GRK6 (0.59) PRKAG1PRKAB1PRKAA2RAB9AHSD17B10
SCHEMBL17213026 0.81 GRK6 (0.46) RAB9AHSD17B10TYMPGRK6KDM4E
SCHEMBL14907762 0.81 GRK6 (0.60) PRKAG1PRKAB1PRKAA2STK17BRAB9A
SCHEMBL6410210 0.81 HRH1 (0.43) PRKAG1PRKAB1PRKAA2HRH1TYMP
SCHEMBL14907754 0.80 GRK6 (0.56) PRKAG1PRKAB1PRKAA2RAB9ATYMP
SCHEMBL14907849 0.80 GRK6 (0.57) PRKAG1PRKAB1PRKAA2RAB9AHSD17B10
SCHEMBL18552362 0.79 GRK6 (0.46) PRKAG1PRKAB1HSD17B10PRKAA1TYMP
SCHEMBL16171164 0.79 GRK6 (0.46) PRKAG1PRKAB1HSD17B10PRKAA1TYMP

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-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof AGRIUS GROUP, LLC. 2005-12-29 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-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof ABCG2, ATP5ME, DNTT PRKAG1 772/4885PRKAB1 993/4885PRKAA2 438/4885

“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.