SCHEMBL2079474

SCHEMBL2079474

Cn1nc(-c2cccnc2)c(COc2ccccc2C(=O)Nc2cnc3ccccc3c2)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 15/20 0.51
KDR P35968 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LRRK2 Q5S007 1/20 0.44

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
SCHEMBL2078168 0.93 KDR (0.52) SGMS2KDRNPC1RAB9A
SCHEMBL2078429 0.92 KDR (0.49) SGMS2KDRNPC1RAB9ASMN1; SMN2
SCHEMBL2079495 0.91 SGMS2 (0.51) SGMS2LRRK2
SCHEMBL2077196 0.90 KDR (0.48) SGMS2KDRNPC1RAB9ALRRK2
SCHEMBL2077328 0.89 KDR (0.49) SGMS2KDRNPC1RAB9A
SCHEMBL2079148 0.87 KDR (0.48) KDRNPC1RAB9ASMN1; SMN2
SCHEMBL2078822 0.87 KDR (0.49) SGMS2KDRNPC1RAB9ASMN1; SMN2
SCHEMBL2077698 0.86 KDR (0.47) SGMS2KDRNPC1RAB9ASMN1; SMN2
SCHEMBL2075725 0.86 KDR (0.47) KDRNPC1RAB9ASMN1; SMN2
SCHEMBL2078371 0.85 KDR (0.46) KDRNPC1RAB9ASMN1; SMN2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110059964-A1 PYRAZOLE DERIVATIVES AND USE THEREOF AS OREXIN RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2011-03-10 US claimed
US-7659298-B2 2-(3-Phenyl-5-chloro-1-methyl-1H-pyrazol-4-ylmethylsulphanyl)-N-quinolin-3-ylbenzamide; 2-(3-Phenyl-5-chloro-1-methyl-1H-pyrazol-4-ylmethoxy)-N-naphthalin-2-ylbenzamide; obesity, including obesity of the non-insuline-dependent diabetes patients, sleeping disorders, stroke, nausea and vomiting SANOFI-AVENTIS (FR) 2010-02-09 US claimed
EP-1699454-B1 PYRAZOLE DERIVATIVES AND USE THEREOF AS OREXIN RECEPTOR ANTAGONISTS SANOFI AVENTIS (FR) 2009-08-05 EP claimed
US-20070021459-A1 PYRAZOLE DERIVATIVES AND USE THEREOF AS OREXIN RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2007-01-25 US claimed
EP-1699454-A1 PYRAZOLE DERIVATIVES AND USE THEREOF AS OREXIN RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2006-09-13 EP claimed
WO-2005060959-A1 PYRAZOLE DERIVATIVES AND USE THEREOF AS OREXIN RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2005-07-07 WO claimed
US-20110059964-A1 PYRAZOLE DERIVATIVES AND USE THEREOF AS OREXIN RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2011-03-10 US disclosed
US-7659298-B2 2-(3-Phenyl-5-chloro-1-methyl-1H-pyrazol-4-ylmethylsulphanyl)-N-quinolin-3-ylbenzamide; 2-(3-Phenyl-5-chloro-1-methyl-1H-pyrazol-4-ylmethoxy)-N-naphthalin-2-ylbenzamide; obesity, including obesity of the non-insuline-dependent diabetes patients, sleeping disorders, stroke, nausea and vomiting SANOFI-AVENTIS (FR) 2010-02-09 US disclosed
EP-1699454-B1 PYRAZOLE DERIVATIVES AND USE THEREOF AS OREXIN RECEPTOR ANTAGONISTS SANOFI AVENTIS (FR) 2009-08-05 EP disclosed
US-20070021459-A1 PYRAZOLE DERIVATIVES AND USE THEREOF AS OREXIN RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2007-01-25 US disclosed
EP-1699454-A1 PYRAZOLE DERIVATIVES AND USE THEREOF AS OREXIN RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2006-09-13 EP disclosed
WO-2005060959-A1 PYRAZOLE DERIVATIVES AND USE THEREOF AS OREXIN RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2005-07-07 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 (2 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-20070021459-A1 PYRAZOLE DERIVATIVES AND USE THEREOF AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R SGMS2 2712/4885KDR 1540/4885NPC1 1064/4885
US-20110059964-A1 PYRAZOLE DERIVATIVES AND USE THEREOF AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R SGMS2 2712/4885KDR 1540/4885NPC1 1064/4885

“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.