SCHEMBL13645834

SCHEMBL13645834

CC(=O)NC1CCC(C(=O)N(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FASN P49327 3/20 0.46
MME P08473 1/20 0.43
ATM Q13315 1/20 0.41
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PDE7A Q13946 2/20 0.38
HPGD P15428 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
EPHX2 P34913 1/20 0.34
POLB P06746 1/20 0.34
MELK Q14680 1/20 0.33
EPHX1 P07099 1/20 0.33
MMP2 P08253 1/20 0.33
MMP8 P22894 1/20 0.33
KDM1A O60341 1/20 0.33
BTK Q06187 1/20 0.33

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
SCHEMBL14658519 0.84 MME (0.46) FASNMMEPDE7AEPHX2POLB
SCHEMBL3715481 0.84 MME (0.46) FASNMMEPDE7AEPHX2POLB
SCHEMBL12993094 0.84 FASN (0.50) FASNMMEATMALDH1A1KDM4E
SCHEMBL284318 0.80 ATM (0.56) ATMALDH1A1KDM4EMTNR1AMTNR1B
SCHEMBL284342 0.80 ATM (0.56) ATMALDH1A1KDM4EMTNR1AMTNR1B
SCHEMBL50350 0.80
SCHEMBL284319 0.80 ATM (0.56) ATMALDH1A1KDM4EMTNR1AMTNR1B
SCHEMBL197080 0.80
SCHEMBL21545609 0.80 GLI1 (0.41) MMEALDH1A1
SCHEMBL13645840 0.79 ALDH1A1 (0.47) FASNMMEATMALDH1A1KDM4E

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 FASN 4489/4885MME 3255/4885ATM 2828/4885

“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.