SCHEMBL2860394

SCHEMBL2860394

CCCCC#Cc1cncc(-c2nnc3n2CCCCC3)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNA3 P32297 1/20 0.43
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 2/20 0.39
HSD11B1 P28845 2/20 0.39
HSD11B2 P80365 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 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
SCHEMBL13227551 0.78 HPGD (0.49) HPGDALDH1A1HTTKDM4EKMT2A
SCHEMBL2853324 0.71 HPGD (0.66) HPGDALDH1A1HTTKDM4EKMT2A
SCHEMBL30519087 0.70 CHRNB2 (0.39) CHRNB2CHRNA3HSD11B1
SCHEMBL25333101 0.70 CHRNB2 (0.39) CHRNB2CHRNA3HSD11B1
SCHEMBL25932870 0.69 CHRNB2 (0.38) CHRNB2CHRNA3HSD11B1
SCHEMBL3930779 0.65 GRM5 (0.42) CHRNB2CHRNA3
SCHEMBL2857892 0.64 HPGD (0.67) HPGDALDH1A1HTTKDM4EKMT2A
SCHEMBL5657167 0.64 CHRNB2 (0.52) CHRNB2
SCHEMBL2849468 0.63 HPGD (0.71) HPGDALDH1A1HTTKDM4EKMT2A
SCHEMBL2851419 0.63 HPGD (1.00) HPGDALDH1A1HTTKDM4EKMT2A

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615647-B1 PHARMACEUTICAL USE OF FUSED 1,2,4-TRIAZOLES HIGH POINT PHARMACEUTICALS LLC (US) 2010-01-20 EP claimed
US-20090264412-A1 Combination Therapy Using An 11beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor And A Glucocorticoid Receptor Agonist To Minimize The Side Effects Associated With Glucocorticoid Receptor Agonist Therapy HIGH POINT PHARMACEUTICALS, LLC (US) 2009-10-22 US claimed
US-20090137574-A1 Combination Therapy Using an 11Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor and an Antihypertensive Agent for the Treatment of Metabolic Syndrome and Related Diseases and Disorders NOVO NORDISK A/S (DK) 2009-05-28 US claimed
US-20080153807-A1 Pharmaceutical Use of Fused 1,2,4-Triazoles NOVO NORDISK A/S (DK) 2008-06-26 US claimed
EP-1785424-A2 Fused 1,2,4-triazoles and pharmaceutical uses thereof NOVO NORDISK A/S (DK) 2007-05-16 EP claimed
US-20060111348-A1 Combination therapy using an 11beta-hydroxysteroid dehydrogenase type 1 inhibitor and an antihypertensive agent for the treatment of metabolic syndrome and related diseases and disorders NOVO NORDISK A/S (DK) 2006-05-25 US claimed
US-20060106008-A1 Pharmaceutical use of fused 1,2,4-triazoles NOVO NORDISK A/S (DK) 2006-05-18 US claimed
US-20060094699-A1 Combination therapy using an 11beta-hydroxysteroid dehydrogenase type 1 inhibitor and a glucocorticoid receptor agonist to minimize the side effects associated with glucocorticoid receptor agonist therapy HIGH POINT PHARMACEUTICALS, LLC 2006-05-04 US claimed
EP-1615667-A2 COMBINATIONS OF AN 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITOR AND A GLUCOCORTICOID RECEPTOR AGONIST NOVO NORDISK A/S (DK) 2006-01-18 EP claimed
EP-1615666-A2 COMBINATION OF AN 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITOR AND AN ANTIHYPERTENSIVE AGENT NOVO NORDISK A/S (DK) 2006-01-18 EP claimed
EP-1615647-A2 PHARMACEUTICAL USE OF FUSED 1,2,4-TRIAZOLES NOVO NORDISK A/S (DK) 2006-01-18 EP claimed
WO-2004089416-A2 COMBINATION OF AN 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITOR AND AN ANTIHYPERTENSIVE AGENT NOVO NORDISK A/S (DK) 2004-10-21 WO claimed
WO-2004089380-A2 PHARMACEUTICAL USE OF FUSED 1,2,4-TRIAZOLES NOVO NORDISK A/S (DK) 2004-10-21 WO claimed
WO-2004089415-A2 COMBINATIONS OF AN 11β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITOR AND A GLUCOCORTICOID RECEPTOR AGONIST NOVO NORDISK A/S (DK) 2004-10-21 WO claimed
US-20100197658-A1 PHARMACEUTICAL USE OF FUSED 1,2,4-TRIAZOLES HIGH POINT PHARMACEUTICALS, LLC (US) 2010-08-05 US disclosed
US-20100197658-A1 PHARMACEUTICAL USE OF FUSED 1,2,4-TRIAZOLES HIGH POINT PHARMACEUTICALS, LLC (US) 2010-08-05 US disclosed
US-7723323-B2 Pharmaceutical use of fused 1,2,4-triazoles HIGH POINT PHARMACEUTICALS, LLC (US) 2010-05-25 US disclosed
EP-1615667-A2 COMBINATIONS OF AN 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITOR AND A GLUCOCORTICOID RECEPTOR AGONIST NOVO NORDISK A/S (DK) 2006-01-18 EP disclosed
WO-2004089416-A2 COMBINATION OF AN 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITOR AND AN ANTIHYPERTENSIVE AGENT NOVO NORDISK A/S (DK) 2004-10-21 WO disclosed
WO-2004089415-A2 COMBINATIONS OF AN 11β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITOR AND A GLUCOCORTICOID RECEPTOR AGONIST NOVO NORDISK A/S (DK) 2004-10-21 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 (7 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-20060106008-A1 Pharmaceutical use of fused 1,2,4-triazoles HSD3B1, HSD11B1, HSD11B2 HPGD 63/4885CHRNB2 2313/4885CHRNA3 2027/4885
US-20080153807-A1 Pharmaceutical Use of Fused 1,2,4-Triazoles HSD3B1, HSD11B1, HSD11B2 HPGD 63/4885CHRNB2 2313/4885CHRNA3 2027/4885
US-20060094699-A1 Combination therapy using an 11beta-hydroxysteroid dehydrogenase type 1 inhibitor and a glucocorticoid receptor agonist to minimize the side effects associated with glucocorticoid receptor agonist therapy HSD11B1, HSD17B1, NR3C1 HPGD 119/4885CHRNB2 941/4885CHRNA3 874/4885
US-20090137574-A1 Combination Therapy Using an 11Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor and an Antihypertensive Agent for the Treatment of Metabolic Syndrome and Related Diseases and Disorders HSD11B1, HSD11B2, HSD17B1 HPGD 84/4885CHRNB2 2061/4885CHRNA3 2124/4885
US-20060111348-A1 Combination therapy using an 11beta-hydroxysteroid dehydrogenase type 1 inhibitor and an antihypertensive agent for the treatment of metabolic syndrome and related diseases and disorders HSD11B1, HSD11B2, HSD17B1 HPGD 84/4885CHRNB2 2061/4885CHRNA3 2124/4885
US-20090264412-A1 Combination Therapy Using An 11beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor And A Glucocorticoid Receptor Agonist To Minimize The Side Effects Associated With Glucocorticoid Receptor Agonist Therapy HSD11B1, HSD17B1, NR3C1 HPGD 119/4885CHRNB2 941/4885CHRNA3 874/4885
US-20100197658-A1 PHARMACEUTICAL USE OF FUSED 1,2,4-TRIAZOLES HSD3B1, HSD11B2, HSD3B2 HPGD 71/4885CHRNB2 2117/4885CHRNA3 2775/4885

“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.