SCHEMBL2275719

SCHEMBL2275719

COC(=O)c1cc(-c2cncc(C)c2)cnc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
AXL P30530 4/20 0.40
HCRTR1 O43613 2/20 0.40
HCRTR2 O43614 2/20 0.40
CYP46A1 Q9Y6A2 1/20 0.40
CYP11B2 P19099 2/20 0.38
KDR P35968 1/20 0.38
PIK3C3 Q8NEB9 2/20 0.38
CYP2A6 P11509 1/20 0.37
CYP11B1 P15538 1/20 0.36
IKBKE Q14164 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL1854140 0.87 MKNK1 (0.43) AXLHCRTR1HCRTR2CYP11B2PIK3C3
SCHEMBL11381071 0.85 KDR (0.39) ATMHCRTR1HCRTR2CYP11B2KDR
SCHEMBL3732128 0.83 ATM (0.47) ATMCYP46A1KDRNPC1MAPT
SCHEMBL11158146 0.82 CYP11B2 (0.45) CYP11B2KDRPIK3C3CYP2A6HCAR2
SCHEMBL11379519 0.81 AXL (0.60) AXLCYP46A1PIK3C3IKBKETBK1
SCHEMBL11377060 0.81 KDM4E (0.40) AXLPIK3C3NPC1MAPTNFKB1
SCHEMBL8623985 0.79 AXL (0.59) AXLMAPTSMN1; SMN2PIK3CG
SCHEMBL1847871 0.79 WDR5 (0.38) ATMAXLCYP46A1KDRNPC1
SCHEMBL2276825 0.78 ATM (0.44) ATMAXLHCRTR1HCRTR2CYP46A1
SCHEMBL2314582 0.76 ATM (0.49) ATMHCRTR1HCRTR2CYP46A1CYP11B2

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 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
EP-2184981-A1 PYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2010-05-19 EP disclosed
WO-2009020642-A1 PYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2009-02-12 WO 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 ATM 4845/4885AXL 630/4885HCRTR1 2/4885
US-20110301140-A1 Pyridine Carboxamide orexin Receptor Antagonists HCRTR2, HCRTR1, NPY1R ATM 4845/4885AXL 630/4885HCRTR1 2/4885

“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.