SCHEMBL5564064

SCHEMBL5564064

Cc1ccccc1C(=O)c1cnc(NCCCNC(=O)Nc2cccc(F)c2)s1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.45
KMT2A Q03164 1/20 0.45
MARS1 P56192 1/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 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
SCHEMBL5568837 0.90 KMT2A (0.46) BRD4KMT2AMARS1MAPK13MAPK12
SCHEMBL5568814 0.90 MAPK14 (0.49) KMT2ANPC1RAB9AMAPK13MAPK12
SCHEMBL5563965 0.90 MAPK14 (0.46) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5569762 0.85 KDM4E (0.44) KMT2AMAPK13MAPK12MAPK11MAPK14
SCHEMBL5569483 0.84 MAPK14 (0.49) KMT2AMAPK13MAPK12MAPK11MAPK14
SCHEMBL5563863 0.82 MAPK14 (0.46) KMT2ANPC1RAB9AMAPK14
SCHEMBL5568565 0.81 CDK2 (0.42) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5569746 0.81 MAPK14 (0.43) KMT2ANPC1RAB9AMAPK13MAPK12
SCHEMBL5634628 0.81 MAPK13 (0.57) NPC1RAB9AMAPK13MAPK12MAPK11
SCHEMBL5564268 0.81 NPC1 (0.47) KMT2ANPC1RAB9AMAPK13MAPK12

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 BRD4 1714/4885KMT2A 2916/4885MARS1 2552/4885

“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.