SCHEMBL5569877

SCHEMBL5569877

Cc1cccnc1C(=O)c1cnc(NCCCN)s1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.43
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
LCK P06239 4/20 0.39
CHEK1 O14757 3/20 0.39
CDK7 P50613 2/20 0.39
TMPRSS15 P98073 1/20 0.37

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
SCHEMBL5569873 0.86 TMPRSS15 (0.44) MAPK14NPC1CYP1A2CYP3A4CYP2C9
SCHEMBL5567869 0.85 MAPK14 (0.38) MAPK14NPC1CYP1A2CYP3A4CYP2C9
SCHEMBL5568716 0.84 P2RX7 (0.45) MAPK14NPC1CYP1A2CYP3A4CYP2C9
SCHEMBL5567867 0.84 MAPK14 (0.45) MAPK14NPC1CYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL5569497 0.83 MAPK14 (0.44) MAPK14NPC1CYP1A2CYP3A4CYP2C9
SCHEMBL27614965 0.81 ALDH1A1 (0.44) MAPK14NPC1CYP1A2CYP3A4CYP2C9
SCHEMBL5564468 0.81 NPC1 (0.46) MAPK14NPC1RAB9ALCK
SCHEMBL5568720 0.81 MAPK14 (0.44) MAPK14NPC1CYP1A2CYP3A4CYP2C9
SCHEMBL5564822 0.80 CCNA2 (0.42) MAPK14NPC1CYP1A2CYP3A4CYP2C9
SCHEMBL5564293 0.80 KDM4C (0.45) MAPK14NPC1CYP1A2CYP3A4CYP2C9

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 MAPK14 3558/4885NPC1 393/4885CYP1A2 1187/4885

“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.