SCHEMBL13645654

SCHEMBL13645654

CC(=O)NC(C(=O)Nc1ccccn1)C(C)C

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
FFAR2 O15552 1/20 0.54
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
PKM P14618 1/20 0.51
S1PR1 P21453 1/20 0.49
S1PR3 Q99500 1/20 0.49
GAA P10253 1/20 0.49
MMP1 P03956 2/20 0.47
MMP3 P08254 2/20 0.47
MMP9 P14780 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL2666190 0.79 ALDH1A1 (0.71) POLBFFAR2ALDH1A1LMNANPC1
SCHEMBL6799235 0.78 POLB (0.69) POLBFFAR2ALDH1A1LMNANPC1
SCHEMBL6795826 0.78 POLB (0.69) POLBFFAR2ALDH1A1LMNANPC1
SCHEMBL6793174 0.78 POLB (0.69) POLBFFAR2ALDH1A1LMNANPC1
SCHEMBL114271 0.77 NPC1 (0.70) POLBALDH1A1LMNANPC1RAB9A
SCHEMBL29740123 0.77 NPC1 (0.70) POLBALDH1A1LMNANPC1RAB9A
SCHEMBL7876929 0.77 POLB (0.63) POLBFFAR2ALDH1A1LMNANPC1
SCHEMBL13645766 0.77 ALDH1A1 (0.70) ALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL13645665 0.76 SMN1; SMN2 (0.57) POLBALDH1A1LMNANPC1RAB9A
Hydrochloric Acid SCHEMBL29440615 0.76 NPC1 (0.68) POLBALDH1A1LMNANPC1RAB9A

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 POLB 4498/4885FFAR2 3170/4885ALDH1A1 208/4885

“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.