SCHEMBL13645867

SCHEMBL13645867

CCC(NC(C)=O)C(=O)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
PKM P14618 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.42
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
AIMP2 Q13155 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
RECQL P46063 1/20 0.39
ACACB O00763 1/20 0.39

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
SCHEMBL13645758 0.87 HTT (0.44) HTTSMN1; SMN2PKMCYP3A4CYP2C19
SCHEMBL7719250 0.87 SMN1; SMN2 (0.50) HTTSMN1; SMN2PKMCYP3A4CYP2C19
SCHEMBL24724860 0.84 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1RECQL
SCHEMBL6592513 0.83 SMN1; SMN2 (0.41) HTTSMN1; SMN2PKMCYP3A4CYP2C19
SCHEMBL4464709 0.79 SMN1; SMN2 (0.39) HTTSMN1; SMN2PKMCYP3A4CYP2C19
SCHEMBL10076126 0.79 CTSK (0.50) HTTSMN1; SMN2CYP3A4CYP2C19GAA
SCHEMBL10076145 0.78 MEN1 (0.46) HTTSMN1; SMN2PKMCYP3A4CYP2C19
SCHEMBL7718204 0.76 SMN1; SMN2 (0.47) HTTSMN1; SMN2PKMCYP3A4CYP2C19
SCHEMBL13645754 0.75 SMN1; SMN2 (0.50) HTTSMN1; SMN2PKMCYP3A4CYP2C19
SCHEMBL13266392 0.74 CYP2C19 (0.51) HTTSMN1; SMN2PKMCYP3A4CYP2C19

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 HTT 4633/4885SMN1; SMN2 3178/4885PKM 2838/4885

“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.