SCHEMBL8087616

SCHEMBL8087616

Cc1cncc(-c2cnc(-c3ccccc3F)c(C(=O)O)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 12/20 0.50
ACMSD Q8TDX5 1/20 0.45
HCRTR1 O43613 3/20 0.43
HCRTR2 O43614 3/20 0.43
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
DHFR P00374 1/20 0.40
ALKBH5 Q6P6C2 1/20 0.40
HTR5A P47898 1/20 0.39
CTSA P10619 1/20 0.38

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
Hydrochloric Acid SCHEMBL2274265 0.99 DHODH (0.49) DHODHACMSDHCRTR1HCRTR2CYP11B1
SCHEMBL2279807 0.87 HCRTR2 (0.45) DHODHHCRTR1HCRTR2CYP11B1CYP11B2
SCHEMBL8073486 0.81 HCRTR2 (0.46) DHODHHCRTR1HCRTR2CSNK2A2CSNK2B
Hydrochloric Acid SCHEMBL2282906 0.81 HCRTR2 (0.45) DHODHHCRTR1HCRTR2CSNK2A2CSNK2B
SCHEMBL12373309 0.76 HCRTR2 (0.61) HCRTR1HCRTR2
SCHEMBL2279413 0.75 HCRTR2 (0.64) HCRTR1HCRTR2
SCHEMBL13778292 0.75 CYP11B1 (0.51) CYP11B1CYP11B2CTSA
SCHEMBL2253822 0.74 HCRTR1 (0.80) HCRTR1HCRTR2
SCHEMBL29058647 0.72 NPC1 (0.48) DHODHACMSDCSNK2A2CSNK2B
SCHEMBL30394985 0.72 NPC1 (0.48) DHODHACMSDCSNK2A2CSNK2B

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 7 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-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
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 DHODH 1708/4885ACMSD 3474/4885HCRTR1 2/4885
US-20110301140-A1 Pyridine Carboxamide orexin Receptor Antagonists HCRTR2, HCRTR1, NPY1R DHODH 1708/4885ACMSD 3474/4885HCRTR1 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.