SCHEMBL13645737

SCHEMBL13645737

CCC(NC(C)=O)C(=O)NC(C)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 2/20 0.42
TSHR P16473 4/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CA14 Q9ULX7 2/20 0.37
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
RECQL P46063 2/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 1/20 0.36
PTGS2 P35354 1/20 0.36
THPO P40225 1/20 0.36
BLM P54132 1/20 0.36
MME P08473 1/20 0.35

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
SCHEMBL13645756 0.86 BIRC2 (0.47) BIRC2TSHRALDH1A1KDM4ESMN1; SMN2
SCHEMBL18950367 0.84 MAPT (0.52) BIRC2TSHRALDH1A1KDM4ESMN1; SMN2
SCHEMBL21737912 0.83 BIRC2 (0.40) BIRC2TSHRALDH1A1MEN1KMT2A
SCHEMBL4659641 0.81 SMN1; SMN2 (0.43) BIRC2ALDH1A1KDM4ESMN1; SMN2CA14
SCHEMBL4661948 0.81 SMN1; SMN2 (0.43) BIRC2ALDH1A1KDM4ESMN1; SMN2CA14
SCHEMBL4660645 0.81 SMN1; SMN2 (0.43) BIRC2ALDH1A1KDM4ESMN1; SMN2CA14
SCHEMBL3839324 0.79 CTSK (0.57) BIRC2CA14NFKB1CA12CA1
SCHEMBL3839326 0.79 CTSK (0.57) BIRC2CA14NFKB1CA12CA1
SCHEMBL13645819 0.79 CA14 (0.43) BIRC2TSHRALDH1A1KDM4ESMN1; SMN2
SCHEMBL21738188 0.79 CA14 (0.43) BIRC2TSHRALDH1A1KDM4ESMN1; SMN2

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 BIRC2 2808/4885TSHR 3257/4885ALDH1A1 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.