SCHEMBL2245083

SCHEMBL2245083

CCCCCS(=O)(=O)c1cnn2cccnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 3/20 0.42
AXL P30530 1/20 0.42
NLRP3 Q96P20 1/20 0.39
CDK2 P24941 1/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
IRAK4 Q9NWZ3 4/20 0.35
KDM4E B2RXH2 3/20 0.34
PDE2A O00408 1/20 0.34
BMP4 P12644 1/20 0.34
HTT P42858 2/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL2319946 0.77 ALOX5AP (0.35) HSD17B10ALDH1A1HPGDKDM4ERAB9A
SCHEMBL2258295 0.75 HTR6 (0.41) ALDH1A1HPGDKDM4E
SCHEMBL2314828 0.74 THRB (0.32) IRAK4
SCHEMBL2249258 0.74 THRB (0.37) ALDH1A1HPGDKDM4E
SCHEMBL3468681 0.74 HTR6 (0.41) SMPD3
SCHEMBL2359117 0.74 KDM4E (0.34) ALDH1A1LMNAKDM4EHTTNCOA1
SCHEMBL17697728 0.73 SMPD3 (0.51) SMPD3AXLNLRP3CDK2HSD17B10
SCHEMBL1243349 0.73 SMPD3 (0.51) SMPD3AXLCDK2HSD17B10ALDH1A1
SCHEMBL2317612 0.72 HTR6 (0.58)
SCHEMBL2322469 0.72 THRB (0.34) HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2248815-B1 3-SULFONYL-PYRAZOLO[1,5-A]PYRIMIDINES / ANTAGONISTS OF SEROTONIN 5-HT6 RECEPTORS, METHODS FOR THE PRODUCTION AND THE USE THEREOF AVINEURO PHARMACEUTICALS INC (US) 2014-09-24 EP claimed
US-8618114-B2 Substituted 3-arylsulfonyl-pyrazolo[1,5-A]pyrimidines, serotonin 5-HT6 receptor antagonists and methods for the production and use thereof IVASHCHENKO ANDREY ALEXANDROVICH (RU) 2013-12-31 US claimed
US-8552005-B2 (EN) 3-sulfonyl-pyrazolo[1,5-a] pyrimidines / antagonists of serotonin 5-HT6 receptors, methods for the production and the use thereof Avincuro Pharmaceuticals, Inc. (US) 2013-10-08 US claimed
EP-2351756-A1 SUBSTITUTED 3-ARYLSULFONYL-PYRAZOLO[1,5-A]PYRIMIDINES, SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS AND METHODS FOR THE PRODUCTION AND USE THEREOF Ivashchenko, Andrey Alexandrovich (RU) 2011-08-03 EP claimed
US-20110178078-A1 SUBSTITUTED 3-ARYLSULFONYL-PYRAZOLO[1,5-A]PYRIMIDINES, SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS AND METHODS FOR THE PRODUCTION AND USE THEREOF IVASHCHENKO ANDREY ALEXANDROVICH 2011-07-21 US claimed
US-20100331347-A1 (EN) 3-SULFONYL-PYRAZOLO[1,5-A] PYRIMIDINES / ANTAGONISTS OF SEROTONIN 5-HT6 RECEPTORS, METHODS FOR THE PRODUCTION AND THE USE THEREOF AVINEURO PHARMACEUTICALS, INC. 2010-12-30 US claimed
EP-2248815-A2 3-SULFONYL-PYRAZOLO[1,5-A]PYRIMIDINES / ANTAGONISTS OF SEROTONIN 5-HT6 RECEPTORS, METHODS FOR THE PRODUCTION AND THE USE THEREOF Alla Chem, LLC. (US) 2010-11-10 EP claimed
EP-3020719-B1 SUBSTITUTED 3-ARYLSULFONYL-PYRAZOLO[1,5-A]PYRIMIDINES, SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS AND METHODS FOR THE PRODUCTION AND USE THEREOF AND METHODS FOR THE PRODUCTION AND USE THEREOF ALLA CHEM LLC (US) 2017-09-20 EP disclosed
EP-3020719-A1 SUBSTITUTED 3-ARYLSULFONYL-PYRAZOLO[1,5-A]PYRIMIDINES, SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS AND METHODS FOR THE PRODUCTION AND USE THEREOFAND METHODS FOR THE PRODUCTION AND USE THEREOF Alla Chem, LLC. (US) 2016-05-18 EP disclosed
EP-3020719-A1 SUBSTITUTED 3-ARYLSULFONYL-PYRAZOLO[1,5-A]PYRIMIDINES, SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS AND METHODS FOR THE PRODUCTION AND USE THEREOFAND METHODS FOR THE PRODUCTION AND USE THEREOF Alla Chem, LLC. (US) 2016-05-18 EP disclosed
EP-2248816-B1 2-ALKYLAMINO-3-ARYLSULFONYL-CYCLOALCANO [e OR d] PYRAZOLO[1,5-A]PYRIMIDINES AS ANTAGONISTS OF SEROTONIN 5-HT6 RECEPTORS, METHODS FOR THE PRODUCTION AND THE USE THEREOF ALLA CHEM LLC (US) 2014-10-22 EP disclosed
EP-2248815-B1 3-SULFONYL-PYRAZOLO[1,5-A]PYRIMIDINES / ANTAGONISTS OF SEROTONIN 5-HT6 RECEPTORS, METHODS FOR THE PRODUCTION AND THE USE THEREOF AVINEURO PHARMACEUTICALS INC (US) 2014-09-24 EP disclosed
US-8629154-B2 Substituted cycloalcano[e and d] pyrazolo [1,5-a]pyrimidines/antagonists of serotonin 5-HT6 receptors and methods for production and the use thereof IVASHCHENKO ANDREY ALEXANDROVICH (RU) 2014-01-14 US disclosed
US-20100331347-A1 (EN) 3-SULFONYL-PYRAZOLO[1,5-A] PYRIMIDINES / ANTAGONISTS OF SEROTONIN 5-HT6 RECEPTORS, METHODS FOR THE PRODUCTION AND THE USE THEREOF AVINEURO PHARMACEUTICALS, INC. 2010-12-30 US disclosed
US-20100292256-A1 (EN) 2-ALKYLAMINO-3-ARYLSULFONYL-CYCLOALCANO [e OR d] PYRAZOLO [1,5-A]PYRIMIDINES / ANTAGONISTS OF SEROTONIN 5-HT6 RECEPTORS, METHODS FOR THE PRODUCTION AND THE USE THEREOF IVASHCHENKO ANDREY ALEXANDROVICH 2010-11-18 US disclosed
EP-2248815-A2 3-SULFONYL-PYRAZOLO[1,5-A]PYRIMIDINES / ANTAGONISTS OF SEROTONIN 5-HT6 RECEPTORS, METHODS FOR THE PRODUCTION AND THE USE THEREOF Alla Chem, LLC. (US) 2010-11-10 EP disclosed
EP-2248815-A2 3-SULFONYL-PYRAZOLO[1,5-A]PYRIMIDINES / ANTAGONISTS OF SEROTONIN 5-HT6 RECEPTORS, METHODS FOR THE PRODUCTION AND THE USE THEREOF Alla Chem, LLC. (US) 2010-11-10 EP disclosed
EP-2248816-A2 2-ALKYLAMINO-3-ARYLSULFONYL-CYCLOALCANO [e OR ] PYRAZOLO [1,5-A] PYRIMIDINES / ANTAGONISTS OF SEROTONIN 5-HT6 RECEPTORS, METHODS FOR THE PRODUCTION AND THE USE THEREOF Alla Chem, LLC. (US) 2010-11-10 EP disclosed
EP-2248814-A2 SUBSTITUTED CYCLOALCANO[e AND d] PYRAZOLO [1,5-a] PYRIMIDINES/ANTAGONISTS OF SEROTONIN 5-HT6 RECEPTORS AND METHODS FOR PRODUCTION AND THE USE THEREOF Alla Chem, LLC. (US) 2010-11-10 EP disclosed
WO-2010041983-A1 SUBSTITUTED 3-ARYLSULFONYL-PYRAZOLO[1,5-A]PYRIMIDINES, SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS AND METHODS FOR THE PRODUCTION AND USE THEREOF АЛЛА ХЕМ, ЛЛС (US) 2010-04-15 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 (3 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-20100292256-A1 (EN) 2-ALKYLAMINO-3-ARYLSULFONYL-CYCLOALCANO [e OR d] PYRAZOLO [1,5-A]PYRIMIDINES / ANTAGONISTS OF SEROTONIN 5-HT6 RECEPTORS, METHODS FOR THE PRODUCTION AND THE USE THEREOF HTR6, HTR1A, HTR3C SMPD3 1632/4885AXL 839/4885NLRP3 2017/4885
US-20100331347-A1 (EN) 3-SULFONYL-PYRAZOLO[1,5-A] PYRIMIDINES / ANTAGONISTS OF SEROTONIN 5-HT6 RECEPTORS, METHODS FOR THE PRODUCTION AND THE USE THEREOF HTR6, HTR1A, HTR3A SMPD3 1636/4885AXL 890/4885NLRP3 858/4885
US-20110178078-A1 SUBSTITUTED 3-ARYLSULFONYL-PYRAZOLO[1,5-A]PYRIMIDINES, SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS AND METHODS FOR THE PRODUCTION AND USE THEREOF HTR6, HTR1A, HTR3A SMPD3 2186/4885AXL 869/4885NLRP3 502/4885

“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.