SCHEMBL13645758

SCHEMBL13645758

CCCC(NC(C)=O)C(=O)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
TSHR P16473 2/20 0.43
CTSS P25774 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
PKM P14618 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 1/20 0.41
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
CCR1 P32246 1/20 0.39
AIMP2 Q13155 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL13645867 0.87 HTT (0.46) HTTTSHRSMN1; SMN2PKMCYP3A4
SCHEMBL7719250 0.84 SMN1; SMN2 (0.50) HTTTSHRCTSSSMN1; SMN2PKM
SCHEMBL6592513 0.80 SMN1; SMN2 (0.41) HTTTSHRCTSSSMN1; SMN2PKM
SCHEMBL10290442 0.77 HTT (0.43) HTTCTSSSMN1; SMN2PKMCYP3A4
SCHEMBL4464709 0.77 SMN1; SMN2 (0.39) HTTTSHRCTSSSMN1; SMN2PKM
SCHEMBL6801412 0.75 HTT (0.56) HTTCTSSSMN1; SMN2PKMGAA
SCHEMBL8488984 0.75 CYP3A4 (0.47) HTTTSHRSMN1; SMN2PKMCYP3A4
SCHEMBL8488986 0.75 CYP3A4 (0.47) HTTTSHRSMN1; SMN2PKMCYP3A4
SCHEMBL20733007 0.75 CYP3A4 (0.59) HTTTSHRCTSSSMN1; SMN2PKM
SCHEMBL5482918 0.75 CYP3A4 (0.47) HTTTSHRSMN1; SMN2PKMCYP3A4

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 4633/4885TSHR 3257/4885CTSS 2030/4885

“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.