SCHEMBL13645919

SCHEMBL13645919

CC(=O)NC(C)CCN(C)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.40
ACACB O00763 8/20 0.36
GPR88 Q9GZN0 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 2/20 0.33
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CA12 O43570 1/20 0.32

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
SCHEMBL13645923 0.91 CTSK (0.42) CTSKACACBGPR88CA1CA2
SCHEMBL24752001 0.84 CTSK (0.39) CTSKGPR88CA1CA2CA7
SCHEMBL19695796 0.84 CTSK (0.38) CTSKGPR88CA1CA2CA7
SCHEMBL19752902 0.82 CTSK (0.39) CTSKACACBGPR88CA1CA2
SCHEMBL16941095 0.80 CTSK (0.39) CTSKGPR88CA1CA2CA7
SCHEMBL13645938 0.79 CTSK (0.39) CTSKACACBMTNR1AMTNR1B
SCHEMBL3711368 0.78 CTSK (0.38) CTSKGPR88CA1CA2CA7
SCHEMBL13645921 0.78 ACACB (0.36) ACACBMTNR1AMTNR1B
SCHEMBL3708518 0.77 CTSK (0.38) CTSKGPR88CA1CA2CA7
SCHEMBL2917271 0.77 HDAC6 (0.39) CTSKGPR88CA1CA2CA7

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-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 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-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof HLA-C, TPMT, TAP1 CTSK 1560/4885ACACB 4200/4885GPR88 1408/4885

“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.