SCHEMBL928041

SCHEMBL928041

O=C(c1cc2ncc(Br)cn2n1)N1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 1.00
TDP1 Q9NUW8 2/20 1.00
GAA P10253 1/20 1.00
MAPT P10636 1/20 1.00
ESR2 Q92731 4/20 0.77
HPGD P15428 2/20 0.77
TSHR P16473 1/20 0.77
ESR1 P03372 3/20 0.66
POLB P06746 2/20 0.66
CTDSP1 Q9GZU7 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
GRM5 P41594 14/20 0.65
KDM4E B2RXH2 1/20 0.65
KMT2A Q03164 1/20 0.64

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
SCHEMBL15292429 1.00 ALDH1A1 (1.00) ALDH1A1TDP1GAAMAPTESR2
SCHEMBL15292427 0.99 ALDH1A1 (0.97) ALDH1A1TDP1GAAMAPTESR2
SCHEMBL1487575 0.93 ESR2 (0.91) ALDH1A1TDP1GAAMAPTESR2
SCHEMBL928749 0.87 ESR2 (1.00) ALDH1A1TDP1GAAMAPTESR2
SCHEMBL25941812 0.84 ALDH1A1 (0.72) ALDH1A1TDP1GAAMAPTESR2
SCHEMBL929965 0.80 ALDH1A1 (0.66) ALDH1A1TDP1GAAMAPTESR2
SCHEMBL20467338 0.80 ALDH1A1 (0.66) ALDH1A1TDP1GAAMAPTESR2
SCHEMBL929962 0.79 GRM5 (0.74) ALDH1A1TDP1GAAMAPTESR2
SCHEMBL15282730 0.79 GRM5 (1.00) ALDH1A1TDP1GAAMAPTESR2
SCHEMBL15282796 0.79 GRM5 (1.00) ALDH1A1TDP1GAAMAPTESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506196-B1 PYRAZOLOPYRIMIDINES AS SODIUM CHANNEL INHIBITORS ICAGEN INC (US) 2012-01-18 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-20070270408-A1 Pharmaceutical use of substituted pyrazolo[1,5-a]pyrimidines NOVO NORDISK A/S (DK) 2007-11-22 US claimed
EP-1782859-A2 Pharmaceutical use of substituted pyrazolo [1,5- a]pyrimidines NOVO NORDISK A/S (DK) 2007-05-09 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-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-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-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-1615697-A2 NEW PYRAZOLO[1,5-A] PYRIMIDINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF 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-2004089471-A2 NEW PYRAZOLO[1,5-a] PYRIMIDINES DERIVATIVES AND PHARMACEUTICAL USE THEREOF 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
EP-2831074-B1 NOVEL PYRAZOLOPYRIMIDINES AS METABOTROPIC GLUTAMATE 5 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHIATRIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-09-14 EP disclosed
US-9029360-B2 Pyrazolopyrimidines as metabotropic glutamate 5 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-05-12 US disclosed
US-9029360-B2 Pyrazolopyrimidines as metabotropic glutamate 5 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-05-12 US disclosed
US-20050215569-A1 Pyrazolopyrimidines ICAGEN, INC. (US) 2005-09-29 US disclosed
US-6833371-B2 Contacting cell with a sodium channel-inhibiting amount of a compound comprising a pyrazolopyrimidine moiety for decreasing ion flow through a voltage-dependent sodium channel in a cell ICAGEN, INC. 2004-12-21 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-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 (6 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-20050215569-A1 Pyrazolopyrimidines SCN3A, TRPV3, P2RX3 ALDH1A1 2830/4885TDP1 2299/4885GAA 4736/4885
US-20070270408-A1 Pharmaceutical use of substituted pyrazolo[1,5-a]pyrimidines HSD3B1, HSD11B1, SRD5A1 ALDH1A1 133/4885TDP1 280/4885GAA 1556/4885
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 ALDH1A1 253/4885TDP1 1463/4885GAA 1580/4885
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 ALDH1A1 74/4885TDP1 649/4885GAA 591/4885
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 ALDH1A1 74/4885TDP1 649/4885GAA 591/4885
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 ALDH1A1 253/4885TDP1 1463/4885GAA 1580/4885

“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.