SCHEMBL5568565

SCHEMBL5568565

Cc1ccncc1C(=O)c1cnc(NCCCNC(=O)Nc2ccccc2)s1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.42
FLT4 P35916 1/20 0.42
EPHX1 P07099 3/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
MAPK13 O15264 2/20 0.41
MAPK12 P53778 2/20 0.41
MAPK11 Q15759 2/20 0.41
MAPK14 Q16539 2/20 0.41
CYP2C9 P11712 1/20 0.41
NAMPT P43490 1/20 0.41
BTK Q06187 2/20 0.40
CCNE1 P24864 1/20 0.40
CDK5 Q00535 1/20 0.40

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
SCHEMBL5563965 0.90 MAPK14 (0.46) EPHX1ALDH1A1HTTMAPK13MAPK12
SCHEMBL5565158 0.89 MAPK13 (0.44) HTTMAPK13MAPK12MAPK11MAPK14
SCHEMBL5569464 0.87 KMT2A (0.45) ALDH1A1MAPK13MAPK12MAPK11MAPK14
SCHEMBL5563940 0.86 KDM6B (0.41) HTTMAPK14
SCHEMBL5564016 0.83 EPHX1 (0.46) EPHX1ALDH1A1HTTMAPK13MAPK12
SCHEMBL5568814 0.83 MAPK14 (0.49) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5564666 0.82 MAPK13 (0.62) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5564064 0.81 BRD4 (0.45) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5564293 0.81 KDM4C (0.45) MAPK14CYP2C9
SCHEMBL5565169 0.79 RAB9A (0.49) MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1480976-B1 THIAZOLE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-09-19 EP disclosed
EP-1480976-A1 THIAZOLE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2004-12-01 EP disclosed
US-6686381-B2 COMPOUNDS THAT ANTAGONIZE NEUROPEPTIDE Y AT THE Y5 RECEPTOR SUBTYPE REPRESENT AN APPROACH TO THE TREATMENT OF EATING DISORDERS SUCH AS OBESITY AND HYPERPHAGIA HOFFMANN-LA ROCHE INC. 2004-02-03 US disclosed
US-20030225141-A1 THIAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. 2003-12-04 US disclosed
WO-2003072577-A1 THIAZOLE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2003-09-04 WO 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-20030225141-A1 THIAZOLE DERIVATIVES SLC5A1, GPR119, TAS1R1 CDK2 3832/4885FLT4 1239/4885EPHX1 2885/4885

“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.