SCHEMBL5564293

SCHEMBL5564293

Cc1ccncc1C(=O)c1cnc(NCCCN)s1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 2/20 0.45
SIRT3 Q9NTG7 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPK14 Q16539 5/20 0.40
LIMK1 P53667 1/20 0.39
LCK P06239 2/20 0.38
TMPRSS15 P98073 1/20 0.37
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL5564286 0.86 SIRT3 (0.45) SIRT3TDP1MAPK14LIMK1LCK
SCHEMBL5567867 0.86 MAPK14 (0.45) MAPK14NPC1CYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL5569497 0.85 MAPK14 (0.44) MAPK14NPC1CYP1A2CYP3A4CYP2C9
SCHEMBL5563940 0.84 KDM6B (0.41) KDM4CMAPK14LIMK1LCKNPC1
SCHEMBL5568720 0.83 MAPK14 (0.44) MAPK14NPC1CYP1A2CYP3A4CYP2C9
SCHEMBL5569464 0.82 KMT2A (0.45) TDP1MAPK14LCKNPC1CYP1A2
SCHEMBL5569588 0.82 NPC1 (0.46) KDM4CMAPK14LIMK1TMPRSS15NPC1
SCHEMBL5568716 0.82 P2RX7 (0.45) MAPK14NPC1CYP1A2CYP3A4CYP2C9
SCHEMBL5564032 0.82 MAPK14 (0.43) MAPK14NPC1CYP1A2CYP3A4CYP2C9
SCHEMBL5568188 0.81 RAB9A (0.46) MAPK14LCKNPC1RAB9A

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 6 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-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 KDM4C 4083/4885SIRT3 485/4885TDP1 3074/4885

“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.