SCHEMBL5569464

SCHEMBL5569464

Cc1ccncc1C(=O)c1cnc(NCCCNC(=O)c2ccccc2)s1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK14 Q16539 2/20 0.41
LCK P06239 1/20 0.41
EPHX2 P34913 1/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 1/20 0.40
NAMPT P43490 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL5568188 0.90 RAB9A (0.46) KMT2ARAB9ANPC1MAPK14LCK
SCHEMBL5565169 0.90 RAB9A (0.49) RAB9ANPC1MAPK14LCKTDP1
SCHEMBL5564672 0.90 NPC1 (0.47) KMT2ARAB9ANPC1CYP1A2CYP3A4
SCHEMBL5568257 0.89 KMT2A (0.43) KMT2AMAPK14LCKMEN1ALDH1A1
SCHEMBL5567794 0.89 KMT2A (0.47) KMT2ARAB9ANPC1MAPK14LCK
SCHEMBL5568565 0.87 CDK2 (0.42) CYP2C9MAPK14MAPK13MAPK12MAPK11
SCHEMBL5563940 0.84 KDM6B (0.41) KMT2ARAB9ANPC1MAPK14LCK
SCHEMBL5565186 0.83 NPC1 (0.46) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL5564268 0.82 NPC1 (0.47) KMT2ARAB9ANPC1MAPK14LCK
SCHEMBL5564659 0.82 RAB9A (0.51) KMT2ARAB9ANPC1MAPK14LCK

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 KMT2A 2916/4885RAB9A 801/4885NPC1 393/4885

“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.