SCHEMBL13645923

SCHEMBL13645923

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.42
ACACB O00763 8/20 0.35
GPR88 Q9GZN0 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CA14 Q9ULX7 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
ACACA Q13085 2/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 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
SCHEMBL13645919 0.91 CTSK (0.40) CTSKACACBGPR88HDAC1HDAC2
SCHEMBL14651989 0.81 CTSK (0.42) CTSKGPR88HDAC1HDAC2HDAC6
SCHEMBL4820504 0.80 CTSK (0.41) CTSKGPR88HDAC1HDAC2HDAC6
SCHEMBL13645924 0.79 TRPV1 (0.35) ACACBHDAC1HDAC2HDAC6TRPV1
SCHEMBL31222204 0.77 CTSK (0.39) CTSKGPR88HDAC1HDAC2HDAC6
SCHEMBL19752902 0.77 CTSK (0.39) CTSKACACBGPR88HDAC1HDAC2
SCHEMBL23717346 0.76 SYK (0.50) CTSKLMNAMEN1KMT2A
SCHEMBL22875161 0.76 GPR88 (0.41) CTSKGPR88HDAC1HDAC2HDAC6
SCHEMBL12506705 0.76 PAOX (0.38) ACACBTRPV1LMNA
SCHEMBL19695796 0.75 CTSK (0.38) CTSKGPR88CA14CA1CA2

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.