SCHEMBL2853941

SCHEMBL2853941

c1ccc(-c2nnc3c4ccccc4ccn23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
NPC1 O15118 2/20 0.45
TSHR P16473 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 1/20 0.41
GABRA1 P14867 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
THRB P10828 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PARP1 P09874 1/20 0.40

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
SCHEMBL515649 0.87 MAPT (0.41) POLBNPC1TSHRRAB9ASMN1; SMN2
SCHEMBL10128718 0.87 MAPT (0.41) POLBNPC1TSHRRAB9ASMN1; SMN2
SCHEMBL10128549 0.86 MAPT (0.40) POLBNPC1TSHRRAB9ASMN1; SMN2
SCHEMBL10128731 0.86 MAPT (0.40) POLBNPC1TSHRRAB9ASMN1; SMN2
SCHEMBL10127939 0.84 LIMK1 (0.39) POLBNPC1TSHRRAB9ASMN1; SMN2
SCHEMBL10128088 0.84 PRKDC (0.37) POLBNPC1TSHRRAB9ASMN1; SMN2
SCHEMBL10128716 0.84 ALDH1A1 (0.39) POLBNPC1TSHRRAB9ASMN1; SMN2
SCHEMBL515103 0.84 ALDH1A1 (0.42) NPC1TSHRRAB9ASMN1; SMN2ALDH1A1
SCHEMBL10128559 0.83 BIRC5 (0.39) POLBNPC1TSHRRAB9ASMN1; SMN2
SCHEMBL10128736 0.83 ALDH1A1 (0.37) POLBNPC1TSHRRAB9ASMN1; 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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197658-A1 PHARMACEUTICAL USE OF FUSED 1,2,4-TRIAZOLES HIGH POINT PHARMACEUTICALS, LLC (US) 2010-08-05 US 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
US-7358238-B2 Pharmaceutical use of fused 1,2,4-triazoles NOVO NORDISK A/S (DK) 2008-04-15 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-9169282-B2 Metal complexes MERCK PATENT GMBH (DE) 2015-10-27 US disclosed
US-9169282-B2 Metal complexes MERCK PATENT GMBH (DE) 2015-10-27 US 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-2004089380-A2 PHARMACEUTICAL USE OF FUSED 1,2,4-TRIAZOLES 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 POLB 3200/4885NPC1 329/4885TSHR 3020/4885
US-20080153807-A1 Pharmaceutical Use of Fused 1,2,4-Triazoles HSD3B1, HSD11B1, HSD11B2 POLB 3200/4885NPC1 329/4885TSHR 3020/4885
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 POLB 997/4885NPC1 1815/4885TSHR 641/4885
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 POLB 1025/4885NPC1 412/4885TSHR 2931/4885
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 POLB 1025/4885NPC1 412/4885TSHR 2931/4885
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 POLB 997/4885NPC1 1815/4885TSHR 641/4885
US-20100197658-A1 PHARMACEUTICAL USE OF FUSED 1,2,4-TRIAZOLES HSD3B1, HSD11B2, HSD3B2 POLB 3772/4885NPC1 506/4885TSHR 1815/4885

“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.