SCHEMBL2279860

SCHEMBL2279860

Cc1cc(F)cc(-c2cnc(-c3cnn(C)c3)c(C(=O)N[C@H](C)c3ccc4ccccc4c3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.43
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
PDPK1 O15530 1/20 0.41
RPS6KB1 P23443 1/20 0.41
PDE2A O00408 1/20 0.41
MAPK1 P28482 6/20 0.41
HPGDS O60760 1/20 0.41
CLK1 P49759 2/20 0.40
CNR2 P34972 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL8082671 0.86 HCRTR2 (0.51) METHCRTR1HCRTR2PDPK1RPS6KB1
SCHEMBL2283063 0.83 HCRTR2 (0.56) METHCRTR1HCRTR2MAPK1
SCHEMBL3624824 0.82 CLK1 (0.43) METHCRTR1HCRTR2PDE2AMAPK1
SCHEMBL12373197 0.81 HCRTR2 (0.45) METHCRTR1HCRTR2MAPK1CLK1
SCHEMBL2282140 0.81 KIT (0.49) HCRTR1HCRTR2RPS6KB1MAPK1CLK1
SCHEMBL3617292 0.76 HCRTR1 (0.46) HCRTR1HCRTR2PDE2AHPGDS
SCHEMBL2281863 0.76 HCRTR2 (0.56) METHCRTR1HCRTR2MAPK1
SCHEMBL12024834 0.73 MET (0.51) METHCRTR1HCRTR2
SCHEMBL8087620 0.72 HCRTR1 (0.55) HCRTR1HCRTR2RPS6KB1MAPK1
SCHEMBL668319 0.72 HCRTR2 (0.45) HCRTR2PDE2AMAPK1HPGDSCNR2

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-20110301140-A1 Pyridine Carboxamide orexin Receptor Antagonists BERGMAN JEFFREY M (US) 2011-12-08 US claimed
US-20100197652-A1 PYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. 2010-08-05 US claimed
US-20110301140-A1 Pyridine Carboxamide orexin Receptor Antagonists BERGMAN JEFFREY M (US) 2011-12-08 US disclosed
US-20110301140-A1 Pyridine Carboxamide orexin Receptor Antagonists BERGMAN JEFFREY M (US) 2011-12-08 US disclosed
US-20110301140-A1 Pyridine Carboxamide orexin Receptor Antagonists BERGMAN JEFFREY M (US) 2011-12-08 US disclosed
US-8003797-B2 Pyridine carboxamide orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-08-23 US disclosed
US-8003797-B2 Pyridine carboxamide orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-08-23 US disclosed
US-8003797-B2 Pyridine carboxamide orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-08-23 US disclosed
US-20100197652-A1 PYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. 2010-08-05 US disclosed
US-20100197652-A1 PYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. 2010-08-05 US disclosed
US-20100197652-A1 PYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. 2010-08-05 US disclosed
WO-2009020642-A1 PYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2009-02-12 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-20100197652-A1 PYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R MET 2336/4885HCRTR1 2/4885HCRTR2 1/4885
US-20110301140-A1 Pyridine Carboxamide orexin Receptor Antagonists HCRTR2, HCRTR1, NPY1R MET 2336/4885HCRTR1 2/4885HCRTR2 1/4885

“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.