SCHEMBL13645720

SCHEMBL13645720

CC(=O)NC(C(=O)NCCc1ccncc1)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.59
LMNA P02545 1/20 0.59
POLB P06746 1/20 0.59
SMN1; SMN2 Q16637 5/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 3/20 0.47
CA2 P00918 2/20 0.46
HTT P42858 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CA5A P35218 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43

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
SCHEMBL10311726 0.81 KMT2A (0.57) KMT2ALMNAPOLBSMN1; SMN2NPC1
SCHEMBL424305 0.78 KDM4E (0.65) LMNAPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL13645690 0.78 TSHR (0.63) KMT2ALMNAPOLBSMN1; SMN2HTT
SCHEMBL27447851 0.78 SMN1; SMN2 (0.54) KMT2ALMNAPOLBSMN1; SMN2NPC1
SCHEMBL13645766 0.77 ALDH1A1 (0.70) KMT2ALMNASMN1; SMN2RAB9AMEN1
SCHEMBL17644003 0.75 ALDH1A1 (0.55) KMT2ALMNASMN1; SMN2MEN1HTT
SCHEMBL6275557 0.74 KMT2A (0.61) KMT2ALMNAPOLBSMN1; SMN2NPC1
SCHEMBL6904742 0.74 KMT2A (0.61) KMT2ALMNAPOLBSMN1; SMN2NPC1
SCHEMBL8895419 0.73 AAK1 (0.56) SMN1; SMN2NPC1RAB9AHDAC2HDAC8
SCHEMBL8763140 0.73 ACACB (0.43) LMNASMN1; SMN2NPC1RAB9AALDH1A1

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 KMT2A 2048/4885LMNA 4876/4885POLB 4498/4885

“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.