SCHEMBL5063209

SCHEMBL5063209

COC(=O)c1ccc(-c2nnnn2C)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
KMO O15229 1/20 0.45
LRRK2 Q5S007 2/20 0.43
CYP2C19 P33261 3/20 0.43
ALDH1A1 P00352 3/20 0.43
NR4A2 P43354 3/20 0.43
CYP2C9 P11712 2/20 0.43
KMT2A Q03164 1/20 0.43
ABCC9 O60706 1/20 0.43
ABCC8 Q09428 1/20 0.43
KCNJ11 Q14654 1/20 0.43
KCNJ8 Q15842 1/20 0.43
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDK2 Q15119 1/20 0.41

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
SCHEMBL5068065 0.85 SMN1; SMN2 (0.50) SMN1; SMN2KMOLRRK2CYP2C19ALDH1A1
SCHEMBL5063444 0.85 SMN1; SMN2 (0.50) SMN1; SMN2KMOLRRK2CYP2C19ALDH1A1
SCHEMBL29037233 0.84 MKNK1 (0.50) SMN1; SMN2KMOLRRK2CYP2C19ALDH1A1
SCHEMBL2884923 0.78 PDK2 (0.57) SMN1; SMN2CYP2C19ALDH1A1CYP2C9KMT2A
SCHEMBL5068078 0.76 TP53 (0.43) SMN1; SMN2LRRK2CYP2C19ALDH1A1KMT2A
SCHEMBL31254922 0.74 PDK2 (0.45) SMN1; SMN2CYP2C19ALDH1A1NR4A2CYP2C9
SCHEMBL23226657 0.74 PDK2 (0.51) SMN1; SMN2CYP2C19ALDH1A1NR4A2CYP2C9
SCHEMBL17185620 0.73 PDK2 (0.48) SMN1; SMN2ALDH1A1NR4A2MAPTNPC1
SCHEMBL5184506 0.73 ALDH1A1 (0.54) SMN1; SMN2CYP2C19ALDH1A1CYP2C9MAPT
SCHEMBL6617411 0.73 JMJD6 (0.49) SMN1; SMN2CYP2C19NR4A2CYP2C9KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080161294-A1 Urea derivative, medicinal composition containing the same, and medicinal use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-07-03 US disclosed
EP-1867639-A1 UREA DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2007-12-19 EP 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-20080161294-A1 Urea derivative, medicinal composition containing the same, and medicinal use of these AVPR2, UTS2R, GPR119 SMN1; SMN2 3056/4885KMO 3087/4885LRRK2 1614/4885

“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.