SCHEMBL5549944

SCHEMBL5549944

N#Cc1ccc(SC[C@@H]2CC[C@H](N)C2)nc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.34
MERTK Q12866 2/20 0.34
KDM1A O60341 3/20 0.33
SLC6A4 P31645 1/20 0.33
USP30 Q70CQ3 2/20 0.32
HSD11B1 P28845 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
TRPC3 Q13507 2/20 0.31
TRPC6 Q9Y210 2/20 0.31
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
AR P10275 2/20 0.31

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
SCHEMBL5549941 1.00 IRAK4 (0.34) IRAK4MERTKKDM1ASLC6A4USP30
SCHEMBL14782788 0.80 KDM1A (0.44) KDM1ASLC6A4
SCHEMBL5549932 0.74 USP30 (0.42) USP30JAK2
SCHEMBL5549920 0.74 USP30 (0.42) USP30JAK2
SCHEMBL5543235 0.74 USP30 (0.42) USP30JAK2
SCHEMBL5545234 0.74 USP30 (0.42) USP30JAK2
SCHEMBL5545238 0.74 USP30 (0.42) USP30JAK2
SCHEMBL5543229 0.74 USP30 (0.42) USP30JAK2
SCHEMBL5545416 0.73 CRBN (0.46)
SCHEMBL3206535 0.73 MAOB (0.41) IRAK4MERTKKDM1ASLC6A4TRPC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050192324-A1 Novel dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof GLENMARK PHARMACEUTICALS LTD. (IN) 2005-09-01 US claimed
US-7230002-B2 Dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof GLENMARK PHARMACEUTICALS LTD. (IN) 2007-06-12 US disclosed
US-20050192324-A1 Novel dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof GLENMARK PHARMACEUTICALS LTD. (IN) 2005-09-01 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-20050192324-A1 Novel dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof DPP4, DPP3, DPP7 IRAK4 1478/4885MERTK 2987/4885KDM1A 2466/4885

“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.