SCHEMBL5564666

SCHEMBL5564666

O=C(NCCCNc1ncc(C(=O)c2ccccc2Cl)s1)Nc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 15/20 0.62
MAPK12 P53778 15/20 0.62
MAPK11 Q15759 15/20 0.62
MAPK14 Q16539 15/20 0.62
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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 0.88 MAPK14 (0.46) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5564016 0.87 EPHX1 (0.46) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5564339 0.87 MAPK13 (0.53) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5569004 0.87 MAPK14 (0.55) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5568623 0.86 MAPK13 (0.65) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5569196 0.85 MAPK13 (0.58) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5568835 0.84 MAPK13 (0.52) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5568565 0.82 CDK2 (0.42) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5564894 0.82 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5565123 0.82 MAPK13 (0.61) MAPK13MAPK12MAPK11MAPK14MEN1

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 3 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
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

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 MAPK13 3868/4885MAPK12 4156/4885MAPK11 3691/4885

“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.